[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl][1-(1H-pyrazol-1-yl)propan-2-yl]amine

• ChemBase ID: 704519
• Molecular Formular: C17H25N5
• Molecular Mass: 299.4139
• Monoisotopic Mass: 299.21099583
• SMILES: n1c(nc(c2c1CCCC2)C)CCNC(Cn1nccc1)C
• Canonical SMILES: CC(Cn1cccn1)NCCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C17H25N5/c1-13(12-22-11-5-9-19-22)18-10-8-17-20-14(2)15-6-3-4-7-16(15)21-17/h5,9,11,13,18H,3-4,6-8,10,12H2,1-2H3
• InChIKey: KMESWFGLNZMSIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl][1-(1H-pyrazol-1-yl)propan-2-yl]amine
• IUPAC Traditional name: [2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl][1-(pyrazol-1-yl)propan-2-yl]amine
• Synonyms: N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-1-(1H-pyrazol-1-yl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0082026
• LogD (pH = 7.4): 0.16456337
• Log P: 2.2758973
• Molar Refractivity: 99.2415 cm^3
• Polarizability: 33.76257 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.36
• LOG S: -2.39
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6