5-ethyl-2-methyl-N-[(3R,4R)-4-(morpholin-4-yl)oxolan-3-yl]pyrimidin-4-amine

• ChemBase ID: 327946
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(nc(ncc1CC)C)N[C@@H]1[C@@H](N2CCOCC2)COC1
• Canonical SMILES: CCc1cnc(nc1N[C@H]1COC[C@@H]1N1CCOCC1)C
• InChI: InChI=1S/C15H24N4O2/c1-3-12-8-16-11(2)17-15(12)18-13-9-21-10-14(13)19-4-6-20-7-5-19/h8,13-14H,3-7,9-10H2,1-2H3,(H,16,17,18)/t13-,14-/m0/s1
• InChIKey: NRCSDHXJUWQDBS-KBPBESRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-methyl-N-[(3R,4R)-4-(morpholin-4-yl)oxolan-3-yl]pyrimidin-4-amine
• IUPAC Traditional name: 5-ethyl-2-methyl-N-[(3R,4R)-4-(morpholin-4-yl)oxolan-3-yl]pyrimidin-4-amine
• Synonyms: 5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.782934
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.038622238
• LogD (pH = 7.4): 1.1613965
• Log P: 1.1948619
• Molar Refractivity: 83.0047 cm^3
• Polarizability: 31.245426 Å^3
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.96
• LOG S: -2.0
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 4