N,5,6-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine

• ChemBase ID: 332500
• Molecular Formular: C14H23N3O
• Molecular Mass: 249.35192
• Monoisotopic Mass: 249.18411237
• SMILES: c1(c(c(ncn1)C)C)N(CCC1OCCCC1)C
• Canonical SMILES: CN(c1ncnc(c1C)C)CCC1CCCCO1
• InChI: InChI=1S/C14H23N3O/c1-11-12(2)15-10-16-14(11)17(3)8-7-13-6-4-5-9-18-13/h10,13H,4-9H2,1-3H3
• InChIKey: XOJWDNFSQDFGFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,6-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: N,5,6-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine
• Synonyms: N,5,6-trimethyl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8274541
• LogD (pH = 7.4): 2.3084867
• Log P: 2.3201458
• Molar Refractivity: 74.8182 cm^3
• Polarizability: 27.897001 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.32
• LOG S: -3.34
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4