2-amino-5-ethylpyrimidin-4-ol

• ChemBase ID: 307983
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: n1c(c(cnc1N)CC)O
• Canonical SMILES: CCc1cnc(nc1O)N
• InChI: InChI=1S/C6H9N3O/c1-2-4-3-8-6(7)9-5(4)10/h3H,2H2,1H3,(H3,7,8,9,10)
• InChIKey: DCUFUGSWZRCRIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-ethylpyrimidin-4-ol
• IUPAC Traditional name: 2-amino-5-ethylpyrimidin-4-ol
• Synonyms: 2-amino-5-ethyl-4-pyrimidinol

Database IDs

• CAS Number: 28224-63-7
• MDL Number: MFCD09754451

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1483785
• LogD (pH = 7.4): 1.1484741
• Log P: 1.1484778
• Molar Refractivity: 39.3053 cm^3
• Polarizability: 13.920689 Å^3
• Polar Surface Area: 72.03 Å^2