2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethan-1-ol

• ChemBase ID: 312186
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: n1c(cc(nc1CCC)C)NCCO
• Canonical SMILES: CCCc1nc(NCCO)cc(n1)C
• InChI: InChI=1S/C10H17N3O/c1-3-4-9-12-8(2)7-10(13-9)11-5-6-14/h7,14H,3-6H2,1-2H3,(H,11,12,13)
• InChIKey: ABIPLWRKMDPWKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethanol
• Synonyms: 2-[(6-methyl-2-propyl-4-pyrimidinyl)amino]ethanol

Database IDs

• CAS Number: 915914-21-5
• MDL Number: MFCD08069044

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.06373732
• LogD (pH = 7.4): 1.1966151
• Log P: 1.3157026
• Molar Refractivity: 57.9657 cm^3
• Polarizability: 21.191238 Å^3
• Polar Surface Area: 58.04 Å^2