N-[2-(dimethyl-1,3-thiazol-2-yl)ethyl]-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 677913
• Molecular Formular: C19H22N6S
• Molecular Mass: 366.48318
• Monoisotopic Mass: 366.16266573
• SMILES: n1c(nc2c(c1NCCc1nc(c(s1)C)C)CCNC2)c1ccncc1
• Canonical SMILES: Cc1sc(nc1C)CCNc1nc(nc2c1CCNC2)c1ccncc1
• InChI: InChI=1S/C19H22N6S/c1-12-13(2)26-17(23-12)6-10-22-19-15-5-9-21-11-16(15)24-18(25-19)14-3-7-20-8-4-14/h3-4,7-8,21H,5-6,9-11H2,1-2H3,(H,22,24,25)
• InChIKey: VFARVEZJJIQAEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethyl-1,3-thiazol-2-yl)ethyl]-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(dimethyl-1,3-thiazol-2-yl)ethyl]-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.039338995
• LogD (pH = 7.4): 1.8047308
• Log P: 2.60362
• Molar Refractivity: 116.0144 cm^3
• Polarizability: 39.78133 Å^3
• Polar Surface Area: 75.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.42
• LOG S: -2.08
• Polar Surface Area: 75.62 Å^2
• Rotatable Bonds: 5