2-amino-6-propylpyrimidin-4-ol

• ChemBase ID: 34103
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: c1(nc(nc(c1)CCC)N)O
• Canonical SMILES: CCCc1cc(O)nc(n1)N
• InChI: InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11)
• InChIKey: FSYKBAWAYYELHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-propylpyrimidin-4-ol
• IUPAC Traditional name: 2-amino-6-propylpyrimidin-4-ol
• Synonyms: 2-Amino-6-propylpyrimidin-4-ol

Database IDs

• MDL Number: MFCD02091392
• PubChem SID: 160997410
• PubChem CID: 22394971

CALCULATED PROPERTIES

• Acid pKa: 13.146339
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4665513
• LogD (pH = 7.4): 1.4669565
• Log P: 1.4669625
• Molar Refractivity: 43.4825 cm^3
• Polarizability: 15.750276 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false