N2,N2-dimethyl-N5-[(2-methylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine

• ChemBase ID: 572880
• Molecular Formular: C16H22N6
• Molecular Mass: 298.38608
• Monoisotopic Mass: 298.19059473
• SMILES: c1(nc2c(cn1)C(NCc1cnc(nc1)C)CCC2)N(C)C
• Canonical SMILES: Cc1ncc(cn1)CNC1CCCc2c1cnc(n2)N(C)C
• InChI: InChI=1S/C16H22N6/c1-11-17-7-12(8-18-11)9-19-14-5-4-6-15-13(14)10-20-16(21-15)22(2)3/h7-8,10,14,19H,4-6,9H2,1-3H3
• InChIKey: VZHNZUYPMHLNKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2-dimethyl-N5-[(2-methylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• IUPAC Traditional name: N2,N2-dimethyl-N5-[(2-methylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• Synonyms: N~2~,N~2~-dimethyl-N~5~-[(2-methyl-5-pyrimidinyl)methyl]-5,6,7,8-tetrahydro-2,5-quinazolinediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.9805594
• LogD (pH = 7.4): 0.77334845
• Log P: 1.523152
• Molar Refractivity: 88.0042 cm^3
• Polarizability: 32.850193 Å^3
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.14
• LOG S: -3.24
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 3