N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(pyrazin-2-yl)propanamide

• ChemBase ID: 317741
• Molecular Formular: C17H22N6O
• Molecular Mass: 326.39618
• Monoisotopic Mass: 326.18550935
• SMILES: c1(nc2c(C(NC(=O)CCc3nccnc3)CCC2)cn1)N(C)C
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)N(C)C)CCc1cnccn1
• InChI: InChI=1S/C17H22N6O/c1-23(2)17-20-11-13-14(4-3-5-15(13)22-17)21-16(24)7-6-12-10-18-8-9-19-12/h8-11,14H,3-7H2,1-2H3,(H,21,24)
• InChIKey: FVXICLNKNJUHKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(pyrazin-2-yl)propanamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]-3-(2-pyrazinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.703869
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.3541923
• LogD (pH = 7.4): 0.3612777
• Log P: 0.36136883
• Molar Refractivity: 91.3574 cm^3
• Polarizability: 34.464306 Å^3
• Polar Surface Area: 83.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.02
• LOG S: -3.88
• Polar Surface Area: 83.9 Å^2
• Rotatable Bonds: 4