5H,6H,7H-cyclopenta[d]pyrimidin-4-amine

• ChemBase ID: 28666
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: c12c(ncnc1CCC2)N
• Canonical SMILES: Nc1ncnc2c1CCC2
• InChI: InChI=1S/C7H9N3/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2,(H2,8,9,10)
• InChIKey: KWLUCRCCWCBGDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• IUPAC Traditional name: 5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• Synonyms: 5H,6H,7H-cyclopenta[d]pyrimidin-4-amine; 6,7-Dihydro-5H-cyclopenta[d]pyrimidin-4-amine; 6,7-Dihydro-5H-cyclopentapyrimidin-4-ylamine

Database IDs

• CAS Number: 26979-06-6
• MDL Number: MFCD00603725
• PubChem SID: 160991973
• PubChem CID: 232191

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2429024
• LogD (pH = 7.4): 0.6866897
• Log P: 0.69686854
• Molar Refractivity: 40.1936 cm^3
• Polarizability: 14.317341 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.17
• Hydrophobicity(logP): 0.689

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%