5-[2-(2-methoxyphenyl)pyrrolidine-1-carbonyl]-N,N,4-trimethylpyrimidin-2-amine

• ChemBase ID: 791042
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: N1(C(=O)c2c(nc(nc2)N(C)C)C)C(c2c(OC)cccc2)CCC1
• Canonical SMILES: COc1ccccc1C1CCCN1C(=O)c1cnc(nc1C)N(C)C
• InChI: InChI=1S/C19H24N4O2/c1-13-15(12-20-19(21-13)22(2)3)18(24)23-11-7-9-16(23)14-8-5-6-10-17(14)25-4/h5-6,8,10,12,16H,7,9,11H2,1-4H3
• InChIKey: TXDMLUFPHNANDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(2-methoxyphenyl)pyrrolidine-1-carbonyl]-N,N,4-trimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-[2-(2-methoxyphenyl)pyrrolidine-1-carbonyl]-N,N,4-trimethylpyrimidin-2-amine
• Synonyms: 5-{[2-(2-methoxyphenyl)-1-pyrrolidinyl]carbonyl}-N,N,4-trimethyl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2973306
• LogD (pH = 7.4): 2.2982821
• Log P: 2.2982943
• Molar Refractivity: 98.8472 cm^3
• Polarizability: 36.71081 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.21
• LOG S: -3.57
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4