2-amino-N-[(4-methyloxan-4-yl)methyl]-6-(propan-2-yl)pyrimidine-4-carboxamide

• ChemBase ID: 614489
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(nc(C(=O)NCC2(CCOCC2)C)cc(n1)C(C)C)N
• Canonical SMILES: Nc1nc(cc(n1)C(=O)NCC1(C)CCOCC1)C(C)C
• InChI: InChI=1S/C15H24N4O2/c1-10(2)11-8-12(19-14(16)18-11)13(20)17-9-15(3)4-6-21-7-5-15/h8,10H,4-7,9H2,1-3H3,(H,17,20)(H2,16,18,19)
• InChIKey: IIOBWZZLSHXWSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[(4-methyloxan-4-yl)methyl]-6-(propan-2-yl)pyrimidine-4-carboxamide
• IUPAC Traditional name: 2-amino-6-isopropyl-N-[(4-methyloxan-4-yl)methyl]pyrimidine-4-carboxamide
• Synonyms: 2-amino-6-isopropyl-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]pyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1297245
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.53393
• LogD (pH = 7.4): 1.5344356
• Log P: 1.5344422
• Molar Refractivity: 82.4563 cm^3
• Polarizability: 30.843195 Å^3
• Polar Surface Area: 90.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.87
• LOG S: -2.93
• Polar Surface Area: 90.13 Å^2
• Rotatable Bonds: 4