5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-N,N,4-trimethylpyrimidin-2-amine

• ChemBase ID: 751985
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(C(=O)N2CCN(c3cc(OC)ccc3)CC2)c(nc(nc1)N(C)C)C
• Canonical SMILES: COc1cccc(c1)N1CCN(CC1)C(=O)c1cnc(nc1C)N(C)C
• InChI: InChI=1S/C19H25N5O2/c1-14-17(13-20-19(21-14)22(2)3)18(25)24-10-8-23(9-11-24)15-6-5-7-16(12-15)26-4/h5-7,12-13H,8-11H2,1-4H3
• InChIKey: LGNOFRJJTQOYSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-N,N,4-trimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-N,N,4-trimethylpyrimidin-2-amine
• Synonyms: 5-{[4-(3-methoxyphenyl)-1-piperazinyl]carbonyl}-N,N,4-trimethyl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.8451936
• LogD (pH = 7.4): 1.84648
• Log P: 1.8464965
• Molar Refractivity: 103.572 cm^3
• Polarizability: 37.862316 Å^3
• Polar Surface Area: 61.8 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: 1.39
• LOG S: -2.98
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 4