5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 862005
• Molecular Formular: C14H18N4O
• Molecular Mass: 258.31892
• Monoisotopic Mass: 258.14806122
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1OCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC1CCCO1
• InChI: InChI=1S/C14H18N4O/c1-9-6-10(2)18-14-12(9)13(16-8-17-14)15-7-11-4-3-5-19-11/h6,8,11H,3-5,7H2,1-2H3,(H,15,16,17,18)
• InChIKey: PQFHFQVAMSWTLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-(tetrahydrofuran-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.40584
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6523205
• LogD (pH = 7.4): 1.6628747
• Log P: 1.663011
• Molar Refractivity: 76.6111 cm^3
• Polarizability: 28.318766 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.91
• LOG S: -1.86
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 3