N2-[3-(dimethylamino)-2,2-dimethylpropyl]-N4,N4,5-trimethylpyrimidine-2,4-diamine

• ChemBase ID: 364004
• Molecular Formular: C14H27N5
• Molecular Mass: 265.39768
• Monoisotopic Mass: 265.22664589
• SMILES: n1c(c(cnc1NCC(CN(C)C)(C)C)C)N(C)C
• Canonical SMILES: CN(CC(CNc1ncc(c(n1)N(C)C)C)(C)C)C
• InChI: InChI=1S/C14H27N5/c1-11-8-15-13(17-12(11)19(6)7)16-9-14(2,3)10-18(4)5/h8H,9-10H2,1-7H3,(H,15,16,17)
• InChIKey: BMDQBNVOFVIRRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2-[3-(dimethylamino)-2,2-dimethylpropyl]-N4,N4,5-trimethylpyrimidine-2,4-diamine
• IUPAC Traditional name: N2-[3-(dimethylamino)-2,2-dimethylpropyl]-N4,N4,5-trimethylpyrimidine-2,4-diamine
• Synonyms: N~2~-[3-(dimethylamino)-2,2-dimethylpropyl]-N~4~,N~4~,5-trimethylpyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.467585
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.0695703
• LogD (pH = 7.4): 0.33101907
• Log P: 2.4675019
• Molar Refractivity: 84.2892 cm^3
• Polarizability: 30.67898 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.23
• LOG S: -2.89
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 6