N-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide

• ChemBase ID: 736368
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: C(=O)(c1c(ncnc1)C)N(CC1CC1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cncnc1C)CC1CC1
• InChI: InChI=1S/C13H19N3O2/c1-10-12(7-14-9-15-10)13(17)16(5-6-18-2)8-11-3-4-11/h7,9,11H,3-6,8H2,1-2H3
• InChIKey: BWGHSKVQDPZRGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
• Synonyms: N-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.21267757
• LogD (pH = 7.4): 0.21269953
• Log P: 0.21269982
• Molar Refractivity: 69.1711 cm^3
• Polarizability: 26.017569 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.21
• LOG S: -2.15
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6