N-cyclopentyl-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 329245
• Molecular Formular: C18H22N4
• Molecular Mass: 294.39408
• Monoisotopic Mass: 294.18444672
• SMILES: c12c(nc(nc2)c2cnccc2)CCCC1NC1CCCC1
• Canonical SMILES: C1CCC(C1)NC1CCCc2c1cnc(n2)c1cccnc1
• InChI: InChI=1S/C18H22N4/c1-2-7-14(6-1)21-16-8-3-9-17-15(16)12-20-18(22-17)13-5-4-10-19-11-13/h4-5,10-12,14,16,21H,1-3,6-9H2
• InChIKey: RJZKPRHJDVSHNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: N-cyclopentyl-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: N-cyclopentyl-2-(3-pyridinyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.46334487
• LogD (pH = 7.4): 0.7240248
• Log P: 2.8273103
• Molar Refractivity: 97.3957 cm^3
• Polarizability: 34.504845 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.21
• LOG S: -3.34
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 3