4,6-dimethyl-1-(2-{[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-1,2-dihydropyrimidin-2-one

• ChemBase ID: 765293
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: n12c(nc(cc1NCCn1c(=O)nc(cc1C)C)C(C)C)cc(n2)C
• Canonical SMILES: Cc1cc(C)n(c(=O)n1)CCNc1cc(nc2n1nc(c2)C)C(C)C
• InChI: InChI=1S/C18H24N6O/c1-11(2)15-10-16(24-17(21-15)9-13(4)22-24)19-6-7-23-14(5)8-12(3)20-18(23)25/h8-11,19H,6-7H2,1-5H3
• InChIKey: DRGWHBOTNJDUBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-1-(2-{[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-1,2-dihydropyrimidin-2-one
• IUPAC Traditional name: 1-[2-({5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl}amino)ethyl]-4,6-dimethylpyrimidin-2-one
• Synonyms: 1-{2-[(5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl}-4,6-dimethyl-2(1H)-pyrimidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5848234
• LogD (pH = 7.4): 1.585192
• Log P: 1.5851967
• Molar Refractivity: 109.9072 cm^3
• Polarizability: 36.43541 Å^3
• Polar Surface Area: 74.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.84
• LOG S: -3.25
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5