6-chloro-5-methylpyrimidin-4-amine

• ChemBase ID: 286806
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: Cc1c(Cl)ncnc1N
• Canonical SMILES: Cc1c(N)ncnc1Cl
• InChI: InChI=1S/C5H6ClN3/c1-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)
• InChIKey: JCIGQYDCSFFHPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-chloro-5-methylpyrimidin-4-amine
• Synonyms: 4-Amino-6-chloro-5-methylpyrimidine

Database IDs

• CAS Number: 14394-56-0
• MDL Number: MFCD09991585
• PubChem SID: 180672337
• PubChem CID: 21934626

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1513009
• LogD (pH = 7.4): 1.15289
• Log P: 1.1529102
• Molar Refractivity: 38.6435 cm^3
• Polarizability: 13.42984 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%