N,2,3,5-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase编号: 787366
• 分子式: C15H19N5O
• 平均质量: 285.34426
• 单一同位素质量: 285.15896025
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(Cc1noc(c1)C)C)C
• Canonical SMILES: Cc1onc(c1)CN(c1cc(C)nc2n1nc(c2C)C)C
• InChI: InChI=1S/C15H19N5O/c1-9-6-14(19(5)8-13-7-10(2)21-18-13)20-15(16-9)11(3)12(4)17-20/h6-7H,8H2,1-5H3
• InChIKey: XUTPIWZMEBOXNR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2,3,5-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC传统名: N,2,3,5-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• 别名: N,2,3,5-tetramethyl-N-[(5-methylisoxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.996199
• LogD (pH = 7.4): 1.996517
• Log P: 1.996521
• 摩尔折射率: 92.3618 cm^3
• 极化性: 29.845669 Å^3
• 极化表面积: 59.46 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.52
• LOG S: -3.43
• 极化表面积: 59.46 Å^2
• 可自由旋转的化学键: 3