N-{[1-(methoxymethyl)cyclopentyl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 453149
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(COC)CCCC1
• Canonical SMILES: COCC1(CCCC1)CNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H24N4O/c1-12-8-13(2)21-16-14(12)15(19-11-20-16)18-9-17(10-22-3)6-4-5-7-17/h8,11H,4-7,9-10H2,1-3H3,(H,18,19,20,21)
• InChIKey: JBAPWQLLLNDWNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(methoxymethyl)cyclopentyl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-{[1-(methoxymethyl)cyclopentyl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-{[1-(methoxymethyl)cyclopentyl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.62142
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6434996
• LogD (pH = 7.4): 2.6543524
• Log P: 2.6544926
• Molar Refractivity: 90.4244 cm^3
• Polarizability: 33.84445 Å^3
• Polar Surface Area: 59.93 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: 2.47
• LOG S: -3.5
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 5