2,4-Diamino-6-hydroxypyrimidine - ≥98%(HPLC) , CAS No.56-06-4

CAS: 56-06-4 Cat. No.: D155148 Molecular Weight: 126.12 Beilstein Registry Number: 24469 EC Number: 200-254-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

2,6-Diaminopyrimidin-4(1H)-one | 2,4-diamino-6(1H)-pyrimidone | MLS002153230 | NCGC00015387-06 | NCGC00024607-02 | NSC 680818 | Tox21_113576_1 | 2,4-DAHP | 2,4-Diamino-6-pyrimidone | 2,6-diaminopyrimidin-4(3H)-one | AKOS002676346 | HMS2234I21 | 2,6-Diamin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 6-Diaminopyrimidin-4(1H)-one | 2, 4-diamino-6(1H)-pyrimidone | MLS002153230 | NCGC00015387-06 | NCGC00024607-02 | NSC 680818 | Tox21_113576_1 | 2, 4-DAHP | 2, 4-Diamino-6-pyrimidone | 2, 6-diaminopyrimidin-4(3H)-one | AKOS002676346 | HMS2234I21 | 2, 6-Diamin

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488202851
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202851
• Canonical Smiles: C1=C(N=C(NC1=O)N)N
• IUPAC Name: 2,4-diamino-1H-pyrimidin-6-one
• InChIKey: SWELIMKTDYHAOY-UHFFFAOYSA-N
• INCHI: 1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
• Isomeric SMILES: C1=C(N=C(NC1=O)N)N
• Alternate CAS: 100643-27-4
• Molecular Weight: 126.12
• Beilstein: 24469
• Reaxy-Rn: 125006
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125006&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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Saccharomyces cerevisiae (19171 Activities)

Explore this target

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): 285-286°C
• Molecular Weight: 126.120 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.054 Da
• Monoisotopic Mass: 126.054 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Linquan Dai, Bo Feng, Mengyan Tang, Yuangan Chen.  (2024)  Effect and mechanism of environmentally friendly depressant 2, 4-Diamino-6-hydroxypyrimidine in separation of chalcopyrite and molybdenite.  PROCESS SAFETY AND ENVIRONMENTAL PROTECTION,      [PMID:] [10.1016/j.psep.2024.05.034]

2. Yubin Zhang, Ling Zhang, Yuhong Bian, Jian Yu, Yanchao Xu, Zhiwei Shu, Sunpeng Shan, Yang Jiao, Jianrong Chen.  (2024)  Innovative modification of cyclodextrin metal-organic frameworks for enhanced adsorption in wastewater treatment.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.113312]