4-methyl-6-(propan-2-yloxy)pyrimidin-2-amine

• ChemBase ID: 308122
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: n1c(nc(cc1OC(C)C)C)N
• Canonical SMILES: CC(Oc1cc(C)nc(n1)N)C
• InChI: InChI=1S/C8H13N3O/c1-5(2)12-7-4-6(3)10-8(9)11-7/h4-5H,1-3H3,(H2,9,10,11)
• InChIKey: SGSMTBSMVGCSHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-6-(propan-2-yloxy)pyrimidin-2-amine
• IUPAC Traditional name: 4-isopropoxy-6-methylpyrimidin-2-amine
• Synonyms: 4-isopropoxy-6-methyl-2-pyrimidinamine

Database IDs

• CAS Number: 90556-28-8
• MDL Number: MFCD00124381

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.84911996
• LogD (pH = 7.4): 1.233057
• Log P: 1.2411349
• Molar Refractivity: 47.9043 cm^3
• Polarizability: 17.655079 Å^3
• Polar Surface Area: 61.03 Å^2