4-(2,4-dimethoxyphenyl)-6-ethyl-N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 508352
• Molecular Formular: C16H21N3O2
• Molecular Mass: 287.35684
• Monoisotopic Mass: 287.16337693
• SMILES: c1(nc(c2c(cc(cc2)OC)OC)cc(n1)CC)N(C)C
• Canonical SMILES: COc1ccc(c(c1)OC)c1cc(CC)nc(n1)N(C)C
• InChI: InChI=1S/C16H21N3O2/c1-6-11-9-14(18-16(17-11)19(2)3)13-8-7-12(20-4)10-15(13)21-5/h7-10H,6H2,1-5H3
• InChIKey: ISRNVCBNYNJXPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dimethoxyphenyl)-6-ethyl-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 4-(2,4-dimethoxyphenyl)-6-ethyl-N,N-dimethylpyrimidin-2-amine
• Synonyms: 4-(2,4-dimethoxyphenyl)-6-ethyl-N,N-dimethylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3710253
• LogD (pH = 7.4): 3.38601
• Log P: 3.3862045
• Molar Refractivity: 84.0059 cm^3
• Polarizability: 32.957726 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.33
• LOG S: -4.14
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5