N-[(1-ethyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-2-amine

• ChemBase ID: 818866
• Molecular Formular: C14H19N5
• Molecular Mass: 257.33416
• Monoisotopic Mass: 257.16404563
• SMILES: c1(n(ccn1)CC)CNc1nc2c(cn1)CCCC2
• Canonical SMILES: CCn1ccnc1CNc1ncc2c(n1)CCCC2
• InChI: InChI=1S/C14H19N5/c1-2-19-8-7-15-13(19)10-17-14-16-9-11-5-3-4-6-12(11)18-14/h7-9H,2-6,10H2,1H3,(H,16,17,18)
• InChIKey: HLCUBDZUGLLRPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-2-amine
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-2-amine
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydro-2-quinazolinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.012877
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2404321
• LogD (pH = 7.4): 1.7701299
• Log P: 1.7871233
• Molar Refractivity: 76.4602 cm^3
• Polarizability: 28.01022 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.89
• LOG S: -2.69
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4