5-(aminomethyl)-2-cyclopropylpyrimidin-4-amine

• ChemBase ID: 277067
• Molecular Formular: C8H12N4
• Molecular Mass: 164.20768
• Monoisotopic Mass: 164.1061964
• SMILES: n1c(c(cnc1C1CC1)CN)N
• Canonical SMILES: NCc1cnc(nc1N)C1CC1
• InChI: InChI=1S/C8H12N4/c9-3-6-4-11-8(5-1-2-5)12-7(6)10/h4-5H,1-3,9H2,(H2,10,11,12)
• InChIKey: QCCPVVIOFRUZHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-2-cyclopropylpyrimidin-4-amine
• IUPAC Traditional name: 5-(aminomethyl)-2-cyclopropylpyrimidin-4-amine
• Synonyms: 5-(aminomethyl)-2-cyclopropylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD19686310
• PubChem SID: 164332977
• PubChem CID: 54594476

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.558223
• LogD (pH = 7.4): -0.8693491
• Log P: 0.24770622
• Molar Refractivity: 48.2332 cm^3
• Polarizability: 17.757526 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.034

Product Information

• Purity: 95%