N-[(1S,2R,4R)-bicyclo[2.2.1]heptan-2-yl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 406814
• Molecular Formular: C16H20N4
• Molecular Mass: 268.3568
• Monoisotopic Mass: 268.16879666
• SMILES: c1(c2c(nc(cc2C)C)ncn1)N[C@H]1[C@@H]2C[C@H](C1)CC2
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2N[C@@H]1C[C@H]2C[C@@H]1CC2
• InChI: InChI=1S/C16H20N4/c1-9-5-10(2)19-15-14(9)16(18-8-17-15)20-13-7-11-3-4-12(13)6-11/h5,8,11-13H,3-4,6-7H2,1-2H3,(H,17,18,19,20)/t11-,12+,13-/m1/s1
• InChIKey: KBXOFGHBDOKMPR-FRRDWIJNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R,4R)-bicyclo[2.2.1]heptan-2-yl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(1S,2R,4R)-bicyclo[2.2.1]heptan-2-yl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[(1S*,2R*,4R*)-bicyclo[2.2.1]hept-2-yl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.078745
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7768726
• LogD (pH = 7.4): 2.7872558
• Log P: 2.7873898
• Molar Refractivity: 81.9876 cm^3
• Polarizability: 30.586336 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.99
• LOG S: -3.71
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 2