N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine

• ChemBase ID: 620728
• Molecular Formular: C13H17N5O2
• Molecular Mass: 275.30638
• Monoisotopic Mass: 275.13822481
• SMILES: n1c(c2c(nc(nc2)N(C)C)C)onc1C1COCC1
• Canonical SMILES: Cc1nc(ncc1c1onc(n1)C1COCC1)N(C)C
• InChI: InChI=1S/C13H17N5O2/c1-8-10(6-14-13(15-8)18(2)3)12-16-11(17-20-12)9-4-5-19-7-9/h6,9H,4-5,7H2,1-3H3
• InChIKey: DTGUPCIXLJTANH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
• IUPAC Traditional name: N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
• Synonyms: N,N,4-trimethyl-5-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.4425572
• LogD (pH = 7.4): 1.4434831
• Log P: 1.443495
• Molar Refractivity: 86.0262 cm^3
• Polarizability: 27.814465 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.58
• LOG S: -2.56
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 3