4-(pyridin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-2-amine

• ChemBase ID: 768231
• Molecular Formular: C19H18N4
• Molecular Mass: 302.37302
• Monoisotopic Mass: 302.1531466
• SMILES: c1(nc(c2ncccc2)ccn1)NC1Cc2c(CC1)cccc2
• Canonical SMILES: c1ccc(nc1)c1ccnc(n1)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C19H18N4/c1-2-6-15-13-16(9-8-14(15)5-1)22-19-21-12-10-18(23-19)17-7-3-4-11-20-17/h1-7,10-12,16H,8-9,13H2,(H,21,22,23)
• InChIKey: YFWAJHDIVCIYFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
• IUPAC Traditional name: 4-(pyridin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
• Synonyms: 4-(2-pyridinyl)-N-(1,2,3,4-tetrahydro-2-naphthalenyl)-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.838401
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9576664
• LogD (pH = 7.4): 3.9598835
• Log P: 3.9599118
• Molar Refractivity: 92.0458 cm^3
• Polarizability: 35.86827 Å^3
• Polar Surface Area: 50.7 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: 3.45
• LOG S: -4.87
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 3