N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 534335
• Molecular Formular: C17H20N6
• Molecular Mass: 308.3809
• Monoisotopic Mass: 308.17494467
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC(c1n(ccn1)C)C1CC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC(c1nccn1C)C1CC1
• InChI: InChI=1S/C17H20N6/c1-10-8-11(2)21-15-13(10)16(20-9-19-15)22-14(12-4-5-12)17-18-6-7-23(17)3/h6-9,12,14H,4-5H2,1-3H3,(H,19,20,21,22)
• InChIKey: LIKOGWJEOOZYPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[cyclopropyl(1-methylimidazol-2-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.93492
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6232536
• LogD (pH = 7.4): 2.124778
• Log P: 2.139801
• Molar Refractivity: 91.8348 cm^3
• Polarizability: 33.95242 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.15
• LOG S: -2.43
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4