5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2,4-dimethylpyrimidine

• ChemBase ID: 734025
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: C(=O)(c1c(nc(nc1)C)C)N1[C@@H](COC)CCC1
• Canonical SMILES: COC[C@H]1CCCN1C(=O)c1cnc(nc1C)C
• InChI: InChI=1S/C13H19N3O2/c1-9-12(7-14-10(2)15-9)13(17)16-6-4-5-11(16)8-18-3/h7,11H,4-6,8H2,1-3H3/t11-/m1/s1
• InChIKey: RTFZXYVFEGHSSN-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2,4-dimethylpyrimidine
• IUPAC Traditional name: 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2,4-dimethylpyrimidine
• Synonyms: 5-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-2,4-dimethylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.32076305
• LogD (pH = 7.4): 0.32101184
• Log P: 0.321015
• Molar Refractivity: 69.0647 cm^3
• Polarizability: 25.943115 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.8
• LOG S: -1.65
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3