2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-4-(trimethylpyrimidin-4-yl)morpholine

• ChemBase ID: 385815
• Molecular Formular: C15H23N7O2
• Molecular Mass: 333.38882
• Monoisotopic Mass: 333.19132301
• SMILES: c1(n(nnn1)CCOC)C1CN(c2c(c(nc(n2)C)C)C)CCO1
• Canonical SMILES: COCCn1nnnc1C1OCCN(C1)c1nc(C)nc(c1C)C
• InChI: InChI=1S/C15H23N7O2/c1-10-11(2)16-12(3)17-14(10)21-5-8-24-13(9-21)15-18-19-20-22(15)6-7-23-4/h13H,5-9H2,1-4H3
• InChIKey: HBQCVESHUZXEEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-4-(trimethylpyrimidin-4-yl)morpholine
• IUPAC Traditional name: 2-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-4-(trimethylpyrimidin-4-yl)morpholine
• Synonyms: 2-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -0.14820376
• LogD (pH = 7.4): 0.99796045
• Log P: 1.0828723
• Molar Refractivity: 103.001 cm^3
• Polarizability: 33.181164 Å^3
• Polar Surface Area: 91.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.28
• LOG S: -2.69
• Polar Surface Area: 91.08 Å^2
• Rotatable Bonds: 5