6-(aminomethyl)pyrimidin-4-amine

• ChemBase ID: 63517
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: n1c(cc(nc1)CN)N
• Canonical SMILES: NCc1ncnc(c1)N
• InChI: InChI=1S/C5H8N4/c6-2-4-1-5(7)9-3-8-4/h1,3H,2,6H2,(H2,7,8,9)
• InChIKey: HPZBMZFZIAACAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)pyrimidin-4-amine
• IUPAC Traditional name: 6-(aminomethyl)pyrimidin-4-amine
• Synonyms: 6-(Aminomethyl)pyrimidin-4-amine

Database IDs

• CAS Number: 933735-24-1
• MDL Number: MFCD19982767
• PubChem SID: 162029256
• PubChem CID: 71299013

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.6534104
• LogD (pH = 7.4): -2.0367377
• Log P: -0.97749263
• Molar Refractivity: 35.6874 cm^3
• Polarizability: 13.043226 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%