2-(methylamino)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

• ChemBase ID: 445468
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: N(C(=O)c1cnc(nc1)NC)(Cc1c(C)cccc1)CC1OCCC1
• Canonical SMILES: CNc1ncc(cn1)C(=O)N(Cc1ccccc1C)CC1CCCO1
• InChI: InChI=1S/C19H24N4O2/c1-14-6-3-4-7-15(14)12-23(13-17-8-5-9-25-17)18(24)16-10-21-19(20-2)22-11-16/h3-4,6-7,10-11,17H,5,8-9,12-13H2,1-2H3,(H,20,21,22)
• InChIKey: SARFZXHAAFZPJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
• IUPAC Traditional name: 2-(methylamino)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
• Synonyms: 2-(methylamino)-N-(2-methylbenzyl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.812573
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1556823
• LogD (pH = 7.4): 2.1557744
• Log P: 2.1557755
• Molar Refractivity: 99.6424 cm^3
• Polarizability: 36.728687 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.73
• LOG S: -2.31
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6