4-chloro-2-methylpyrimidin-5-amine

• ChemBase ID: 70681
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1(nc(c(cn1)N)Cl)C
• Canonical SMILES: Cc1ncc(c(n1)Cl)N
• InChI: InChI=1S/C5H6ClN3/c1-3-8-2-4(7)5(6)9-3/h2H,7H2,1H3
• InChIKey: OJDZCCVMFJMXDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylpyrimidin-5-amine
• IUPAC Traditional name: 4-chloro-2-methylpyrimidin-5-amine
• Synonyms: 4-Chloro-2-methylpyrimidin-5-amine

Database IDs

• CAS Number: 20090-59-9
• MDL Number: MFCD13193284
• PubChem SID: 162036394
• PubChem CID: 45080438

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.63123816
• LogD (pH = 7.4): 0.63159317
• Log P: 0.6315977
• Molar Refractivity: 37.9132 cm^3
• Polarizability: 13.437329 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%