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

• ChemBase ID: 609517
• Molecular Formular: C16H22N4O
• Molecular Mass: 286.37208
• Monoisotopic Mass: 286.17936134
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(CC1)COCC
• Canonical SMILES: CCOCC1(CC1)CNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C16H22N4O/c1-4-21-9-16(5-6-16)8-17-14-13-11(2)7-12(3)20-15(13)19-10-18-14/h7,10H,4-6,8-9H2,1-3H3,(H,17,18,19,20)
• InChIKey: MJFFMFVJIDDYSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.621359
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.11117
• LogD (pH = 7.4): 2.122023
• Log P: 2.1221633
• Molar Refractivity: 85.971 cm^3
• Polarizability: 32.002026 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.87
• LOG S: -2.89
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6