N-(oxolan-2-ylmethyl)-4-(trimethyl-1H-pyrazol-4-yl)pyrimidin-2-amine

• ChemBase ID: 566622
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: c1(c(nn(c1C)C)C)c1nc(ncc1)NCC1OCCC1
• Canonical SMILES: Cc1nn(c(c1c1ccnc(n1)NCC1CCCO1)C)C
• InChI: InChI=1S/C15H21N5O/c1-10-14(11(2)20(3)19-10)13-6-7-16-15(18-13)17-9-12-5-4-8-21-12/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17,18)
• InChIKey: ZWVWSADFVDWDJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-4-(trimethyl-1H-pyrazol-4-yl)pyrimidin-2-amine
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-4-(trimethylpyrazol-4-yl)pyrimidin-2-amine
• Synonyms: N-(tetrahydrofuran-2-ylmethyl)-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.526357
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4083462
• LogD (pH = 7.4): 1.4117128
• Log P: 1.4117559
• Molar Refractivity: 94.5256 cm^3
• Polarizability: 31.896791 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.31
• LOG S: -2.42
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 4