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

• ChemBase ID: 748380
• Molecular Formular: C20H26N4
• Molecular Mass: 322.44724
• Monoisotopic Mass: 322.21574685
• SMILES: n1c(ncc2c1CCCC2NCC1CCCCC1)c1cnccc1
• Canonical SMILES: C1CCC(CC1)CNC1CCCc2c1cnc(n2)c1cccnc1
• InChI: InChI=1S/C20H26N4/c1-2-6-15(7-3-1)12-22-18-9-4-10-19-17(18)14-23-20(24-19)16-8-5-11-21-13-16/h5,8,11,13-15,18,22H,1-4,6-7,9-10,12H2
• InChIKey: IUTVDPFZUUPPIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.25540668
• LogD (pH = 7.4): 1.3518572
• Log P: 3.5652251
• Molar Refractivity: 106.7275 cm^3
• Polarizability: 38.196404 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.39
• LOG S: -4.08
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 4