7,7-dimethyl-2-(morpholin-4-yl)-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 467162
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: c1(nc2c(C(NCc3cnccc3)CC(C2)(C)C)cn1)N1CCOCC1
• Canonical SMILES: CC1(C)CC(NCc2cccnc2)c2c(C1)nc(nc2)N1CCOCC1
• InChI: InChI=1S/C20H27N5O/c1-20(2)10-17(22-13-15-4-3-5-21-12-15)16-14-23-19(24-18(16)11-20)25-6-8-26-9-7-25/h3-5,12,14,17,22H,6-11,13H2,1-2H3
• InChIKey: ANYGASZYQLTEBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-2-(morpholin-4-yl)-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 7,7-dimethyl-2-(morpholin-4-yl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-quinazolin-5-amine
• Synonyms: 7,7-dimethyl-2-(4-morpholinyl)-N-(3-pyridinylmethyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.6187428
• LogD (pH = 7.4): 1.077749
• Log P: 2.1329894
• Molar Refractivity: 102.6568 cm^3
• Polarizability: 39.305275 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: 1.29
• LOG S: -3.51
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 4