5,6-Dimethyluracil - ≥97%(HPLC) , CAS No.26305-13-5

CAS: 26305-13-5 Cat. No.: D155147 Molecular Weight: 140.14 Beilstein Registry Number: 24359

GRADE & PURITY ≥97%(HPLC)

Synonyms

UNII-2SHU0QC17F | dimethylpyrimidine-2,4-diol | 3,5-Bis(2,3-dihydroxypropylaminocarbonyl)-2,4,6-triiodoaniline | tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo-[4,3-c]pyridine-5-carboxylate | 2,4-Dihydroxy-5,6-dimethylpyrimidine | MFCD05664298 | 5,6-Dimethyl-2

Storage

Room temperature

Shipped In

Normal

Overview

2,4-Dihydroxy-5,6-dimethylpyrimidine was used in the synthesis of mono and polyatomic titanium derivatives. It was used as staring reagent in the synthesis of 2-(4-fluorobenzoyl) substituted pyrimidine derivatives.

Specifications

Synonyms

UNII-2SHU0QC17F | dimethylpyrimidine-2, 4-diol | 3, 5-Bis(2, 3-dihydroxypropylaminocarbonyl)-2, 4, 6-triiodoaniline | tert-Butyl 2, 4, 6, 7-tetrahydro-5H-pyrazolo-[4, 3-c]pyridine-5-carboxylate | 2, 4-Dihydroxy-5, 6-dimethylpyrimidine | MFCD05664298 | 5, 6-Dimethyl-2

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488186962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186962
• Canonical Smiles: CC1=C(NC(=O)NC1=O)C
• IUPAC Name: 5,6-dimethyl-1H-pyrimidine-2,4-dione
• InChIKey: PZVLJGKJIMBYNP-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)
• Isomeric SMILES: CC1=C(NC(=O)NC1=O)C
• WGK Germany: 3
• RTECS: YQ9750000
• Molecular Weight: 140.14
• Beilstein: 24359
• Reaxy-Rn: 118810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118810&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: Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 140.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 230.000
• 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