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

• ChemBase ID: 742696
• Molecular Formular: C19H24N6
• Molecular Mass: 336.43406
• Monoisotopic Mass: 336.2062448
• SMILES: n1(nc(cc1C)C)CC1(CC1)CNc1c2c(nc(cc2C)C)ncn1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC1(CC1)Cn1nc(cc1C)C
• InChI: InChI=1S/C19H24N6/c1-12-7-13(2)23-18-16(12)17(21-11-22-18)20-9-19(5-6-19)10-25-15(4)8-14(3)24-25/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,22,23)
• InChIKey: YSNISVJSSZPTSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.662512
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3588233
• LogD (pH = 7.4): 2.372665
• Log P: 2.3728433
• Molar Refractivity: 112.9125 cm^3
• Polarizability: 37.473694 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.51
• LOG S: -3.8
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 5