6-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)-N,N-dimethylpyrimidin-4-amine

• ChemBase ID: 464840
• Molecular Formular: C19H24N6
• Molecular Mass: 336.43406
• Monoisotopic Mass: 336.2062448
• SMILES: n1c(ccn1CCN(C)C)c1cc(c2cc(ncn2)N(C)C)ccc1
• Canonical SMILES: CN(CCn1ccc(n1)c1cccc(c1)c1ncnc(c1)N(C)C)C
• InChI: InChI=1S/C19H24N6/c1-23(2)10-11-25-9-8-17(22-25)15-6-5-7-16(12-15)18-13-19(24(3)4)21-14-20-18/h5-9,12-14H,10-11H2,1-4H3
• InChIKey: HMZNIZFKQWYBLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)-N,N-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 6-(3-{1-[2-(dimethylamino)ethyl]pyrazol-3-yl}phenyl)-N,N-dimethylpyrimidin-4-amine
• Synonyms: 6-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)-N,N-dimethyl-4-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.16561982
• LogD (pH = 7.4): 1.9423951
• Log P: 3.2648928
• Molar Refractivity: 113.9153 cm^3
• Polarizability: 40.96004 Å^3
• Polar Surface Area: 50.08 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: 3.16
• LOG S: -3.35
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6