5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethanamine

• ChemBase ID: 309515
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: n1c2c(cnc1CN)CCC2
• Canonical SMILES: NCc1ncc2c(n1)CCC2
• InChI: InChI=1S/C8H11N3/c9-4-8-10-5-6-2-1-3-7(6)11-8/h5H,1-4,9H2
• InChIKey: WRCSOYUIEXBTBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethanamine
• IUPAC Traditional name: 5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethanamine
• Synonyms: (6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD18447660

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6875508
• LogD (pH = 7.4): 0.011184506
• Log P: 0.5243
• Molar Refractivity: 43.1638 cm^3
• Polarizability: 16.54226 Å^3
• Polar Surface Area: 51.8 Å^2