GRADE & PURITY ≥97%

Synonyms

AMY5656 | 1MC | 5-Aminobenzodioxole | 1,3-Dioxolo[4,5-g]quinoline-7-carboxylic acid, 8-hydroxy-, ethyl ester | 4-Amino-1-methyl-pyrimidin-2-one | 4-amino-1-methylpyrimidin-2-one | SY070177 | CS1032 | FT-0693607 | Z1198148063 | 4-amino-1-methyl-1,2-dihydro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AMY5656 | 1MC | 5-Aminobenzodioxole | 1, 3-Dioxolo[4, 5-g]quinoline-7-carboxylic acid, 8-hydroxy-, ethyl ester | 4-Amino-1-methyl-pyrimidin-2-one | 4-amino-1-methylpyrimidin-2-one | SY070177 | CS1032 | FT-0693607 | Z1198148063 | 4-amino-1-methyl-1, 2-dihydro

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN1C=CC(=NC1=O)N
• IUPAC Name: 4-amino-1-methylpyrimidin-2-one
• InChIKey: HWPZZUQOWRWFDB-UHFFFAOYSA-N
• INCHI: 1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)
• Isomeric SMILES: CN1C=CC(=NC1=O)N
• Molecular Weight: 125.13
• Reaxy-Rn: 117959
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117959&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 Imidolactams Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Imidolactam - 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: aminopyrimidine - pyrimidone

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)

MCF7 (126967 Activities)

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MIA PaCa-2 (5949 Activities)

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NCI-H460 (60772 Activities)

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HeLa (62764 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 125.130 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 125.059 Da
• Monoisotopic Mass: 125.059 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 194.000
• 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