2-amino-N,4-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-carboxamide

• ChemBase ID: 704476
• Molecular Formular: C11H14N6O2
• Molecular Mass: 262.26786
• Monoisotopic Mass: 262.11782372
• SMILES: c1(C(=O)N(CCc2ncon2)C)c(nc(nc1)N)C
• Canonical SMILES: Nc1ncc(c(n1)C)C(=O)N(CCc1nocn1)C
• InChI: InChI=1S/C11H14N6O2/c1-7-8(5-13-11(12)15-7)10(18)17(2)4-3-9-14-6-19-16-9/h5-6H,3-4H2,1-2H3,(H2,12,13,15)
• InChIKey: FNHYSZWRCHCNBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,4-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-carboxamide
• IUPAC Traditional name: 2-amino-N,4-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-carboxamide
• Synonyms: 2-amino-N,4-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.99679
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.5289349
• LogD (pH = 7.4): -0.5269555
• Log P: -0.52693015
• Molar Refractivity: 70.2708 cm^3
• Polarizability: 24.643803 Å^3
• Polar Surface Area: 111.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.4
• LOG S: -1.23
• Polar Surface Area: 111.03 Å^2
• Rotatable Bonds: 4