5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine

• ChemBase ID: 527580
• Molecular Formular: C19H21N5
• Molecular Mass: 319.40354
• Monoisotopic Mass: 319.1796957
• SMILES: c1(c2nc(NC3c4c(CCC3)cccc4)ncc2C)cn(nc1)C
• Canonical SMILES: Cn1ncc(c1)c1nc(ncc1C)NC1CCCc2c1cccc2
• InChI: InChI=1S/C19H21N5/c1-13-10-20-19(23-18(13)15-11-21-24(2)12-15)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,22,23)
• InChIKey: BWOGBGKFKSPIDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
• IUPAC Traditional name: 5-methyl-4-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
• Synonyms: 5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.571592
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.8875754
• LogD (pH = 7.4): 3.8889058
• Log P: 3.8889227
• Molar Refractivity: 108.3653 cm^3
• Polarizability: 37.144722 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.54
• LOG S: -4.55
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3