7,7-dimethyl-N-[(6-methylpyridin-2-yl)methyl]-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 763149
• Molecular Formular: C21H29N5O
• Molecular Mass: 367.48786
• Monoisotopic Mass: 367.23721057
• SMILES: c1(nc2c(C(NCc3nc(ccc3)C)CC(C2)(C)C)cn1)N1CCOCC1
• Canonical SMILES: Cc1cccc(n1)CNC1CC(C)(C)Cc2c1cnc(n2)N1CCOCC1
• InChI: InChI=1S/C21H29N5O/c1-15-5-4-6-16(24-15)13-22-18-11-21(2,3)12-19-17(18)14-23-20(25-19)26-7-9-27-10-8-26/h4-6,14,18,22H,7-13H2,1-3H3
• InChIKey: NYWSUDOWIWTGCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-N-[(6-methylpyridin-2-yl)methyl]-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 7,7-dimethyl-N-[(6-methylpyridin-2-yl)methyl]-2-(morpholin-4-yl)-6,8-dihydro-5H-quinazolin-5-amine
• Synonyms: 7,7-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.20077626
• LogD (pH = 7.4): 1.8846072
• Log P: 2.3458316
• Molar Refractivity: 106.7261 cm^3
• Polarizability: 41.07139 Å^3
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.79
• LOG S: -4.34
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 4