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

• ChemBase ID: 661364
• Molecular Formular: C17H23N5O2
• Molecular Mass: 329.39682
• Monoisotopic Mass: 329.185175
• SMILES: c1(c2c(nc(cc2C)C)ncn1)N[C@@H]1[C@@H](N2CCOCC2)COC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2N[C@H]1COC[C@@H]1N1CCOCC1
• InChI: InChI=1S/C17H23N5O2/c1-11-7-12(2)20-16-15(11)17(19-10-18-16)21-13-8-24-9-14(13)22-3-5-23-6-4-22/h7,10,13-14H,3-6,8-9H2,1-2H3,(H,18,19,20,21)/t13-,14-/m0/s1
• InChIKey: NQFGCLAPZJNVMZ-KBPBESRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-[(3R,4R)-4-(morpholin-4-yl)oxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-[(3R,4R)-4-(morpholin-4-yl)oxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.847536
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.28940514
• LogD (pH = 7.4): 0.9267203
• Log P: 0.9455996
• Molar Refractivity: 93.8649 cm^3
• Polarizability: 35.341698 Å^3
• Polar Surface Area: 72.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.78
• LOG S: -1.26
• Polar Surface Area: 72.4 Å^2
• Rotatable Bonds: 3