N2,N2-dimethyl-N5-(1-phenylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine

• ChemBase ID: 632124
• Molecular Formular: C21H29N5
• Molecular Mass: 351.48846
• Monoisotopic Mass: 351.24229595
• SMILES: c1(nc2c(C(NC3CCN(CC3)c3ccccc3)CCC2)cn1)N(C)C
• Canonical SMILES: CN(c1ncc2c(n1)CCCC2NC1CCN(CC1)c1ccccc1)C
• InChI: InChI=1S/C21H29N5/c1-25(2)21-22-15-18-19(9-6-10-20(18)24-21)23-16-11-13-26(14-12-16)17-7-4-3-5-8-17/h3-5,7-8,15-16,19,23H,6,9-14H2,1-2H3
• InChIKey: HMELUVMOFAJMPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2-dimethyl-N5-(1-phenylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• IUPAC Traditional name: N2,N2-dimethyl-N5-(1-phenylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• Synonyms: N~2~,N~2~-dimethyl-N~5~-(1-phenyl-4-piperidinyl)-5,6,7,8-tetrahydro-2,5-quinazolinediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.015371922
• LogD (pH = 7.4): 1.246359
• Log P: 3.1755493
• Molar Refractivity: 108.0525 cm^3
• Polarizability: 40.66869 Å^3
• Polar Surface Area: 44.29 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: 3.11
• LOG S: -4.76
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3