imidazo[1,2-a]pyrimidin-2-ylmethanamine

• ChemBase ID: 68316
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: C(N)c1nc2ncccn2c1
• Canonical SMILES: NCc1cn2c(n1)nccc2
• InChI: InChI=1S/C7H8N4/c8-4-6-5-11-3-1-2-9-7(11)10-6/h1-3,5H,4,8H2
• InChIKey: PFJRNIUANBPJHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyrimidin-2-ylmethanamine
• IUPAC Traditional name: imidazo[1,2-a]pyrimidin-2-ylmethanamine
• Synonyms: Imidazo[1,2-a]pyrimidin-2-ylmethanamine; (imidazo[1,2-a]pyrimidin-2-ylmethyl)amine

Database IDs

• CAS Number: 843609-02-9
• MDL Number: MFCD06660691; MFCD11506241
• PubChem SID: 162034048
• PubChem CID: 3534573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.720831
• LogD (pH = 7.4): -2.1492844
• Log P: -0.98546475
• Molar Refractivity: 42.7408 cm^3
• Polarizability: 15.770879 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%