1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-4-(5-methylpyridin-2-yl)piperidin-4-ol

• ChemBase ID: 471667
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c1(nc(nc2c1CCCC2)N)N1CCC(c2ncc(cc2)C)(CC1)O
• Canonical SMILES: Cc1ccc(nc1)C1(O)CCN(CC1)c1nc(N)nc2c1CCCC2
• InChI: InChI=1S/C19H25N5O/c1-13-6-7-16(21-12-13)19(25)8-10-24(11-9-19)17-14-4-2-3-5-15(14)22-18(20)23-17/h6-7,12,25H,2-5,8-11H2,1H3,(H2,20,22,23)
• InChIKey: IACDFTUIICMDOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-4-(5-methylpyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-4-(5-methylpyridin-2-yl)piperidin-4-ol
• Synonyms: 1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-4-(5-methylpyridin-2-yl)piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.397699
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.7707044
• LogD (pH = 7.4): 2.2076502
• Log P: 2.5761678
• Molar Refractivity: 99.908 cm^3
• Polarizability: 36.85188 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 2
• Log P: 2.18
• LOG S: -4.13