N-[2-(dimethylamino)-3-methylbutyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 849604
• Molecular Formular: C14H23N5O
• Molecular Mass: 277.36532
• Monoisotopic Mass: 277.19026038
• SMILES: c12c(nc(nc2NCC(N(C)C)C(C)C)C)oc(n1)C
• Canonical SMILES: CC(C(N(C)C)CNc1nc(C)nc2c1nc(o2)C)C
• InChI: InChI=1S/C14H23N5O/c1-8(2)11(19(5)6)7-15-13-12-14(17-9(3)16-13)20-10(4)18-12/h8,11H,7H2,1-6H3,(H,15,16,17)
• InChIKey: MDTQQABLOAIWEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-3-methylbutyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)-3-methylbutyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N~1~-(2,5-dimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-N~2~,N~2~,3-trimethylbutane-1,2-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.980769
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3904763
• LogD (pH = 7.4): 0.05289136
• Log P: 2.0676372
• Molar Refractivity: 80.3459 cm^3
• Polarizability: 30.466002 Å^3
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.49
• LOG S: -2.34
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 5