2-amino-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol

• ChemBase ID: 121495
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: n1c(c2c(nc1N)CCC2)O
• Canonical SMILES: Nc1nc(O)c2c(n1)CCC2
• InChI: InChI=1S/C7H9N3O/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H3,8,9,10,11)
• InChIKey: WJXRMEZIFWONFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
• IUPAC Traditional name: 2-amino-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
• Synonyms: 2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol

Database IDs

• CAS Number: 33081-06-0
• MDL Number: MFCD00091067
• PubChem SID: 162215848
• PubChem CID: 230097

CALCULATED PROPERTIES

• Acid pKa: 12.769774
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0718788
• LogD (pH = 7.4): 1.0720848
• Log P: 1.0720892
• Molar Refractivity: 42.1205 cm^3
• Polarizability: 14.961859 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds