4-chloro-N,N,6-trimethylpyrimidin-2-amine

• ChemBase ID: 307239
• Molecular Formular: C7H10ClN3
• Molecular Mass: 171.6274
• Monoisotopic Mass: 171.05632502
• SMILES: c1(nc(cc(n1)C)Cl)N(C)C
• Canonical SMILES: Cc1cc(Cl)nc(n1)N(C)C
• InChI: InChI=1S/C7H10ClN3/c1-5-4-6(8)10-7(9-5)11(2)3/h4H,1-3H3
• InChIKey: JDYDIHVYOFAERC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N,6-trimethylpyrimidin-2-amine
• IUPAC Traditional name: 4-chloro-N,N,6-trimethylpyrimidin-2-amine
• Synonyms: 4-chloro-N,N,6-trimethylpyrimidin-2-amine

Database IDs

• CAS Number: 5734-62-3
• MDL Number: MFCD08361624

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7828468
• LogD (pH = 7.4): 1.7920389
• Log P: 1.7921574
• Molar Refractivity: 47.5545 cm^3
• Polarizability: 17.086802 Å^3
• Polar Surface Area: 29.02 Å^2