N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 408799
• Molecular Formular: C17H21N5O
• Molecular Mass: 311.38154
• Monoisotopic Mass: 311.17461032
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCc1c(onc1C)C
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCCc1c(C)noc1C
• InChI: InChI=1S/C17H21N5O/c1-10-8-11(2)21-17-15(10)16(19-9-20-17)18-7-5-6-14-12(3)22-23-13(14)4/h8-9H,5-7H2,1-4H3,(H,18,19,20,21)
• InChIKey: JDRZCOUKKDLEKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 19.145544
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3864331
• LogD (pH = 7.4): 2.3974593
• Log P: 2.3976018
• Molar Refractivity: 93.5082 cm^3
• Polarizability: 33.69855 Å^3
• Polar Surface Area: 76.73 Å^2
• Rotatable Bonds: 5

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.42
• LOG S: -3.54
• Polar Surface Area: 76.73 Å^2
• Rotatable Bonds: 5