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

• ChemBase ID: 24541
• Molecular Formular: C7H10Cl2N4
• Molecular Mass: 221.0871
• Monoisotopic Mass: 220.0282517
• SMILES: c12nc(cn1cccn2)CN.Cl.Cl
• Canonical SMILES: NCc1cn2c(n1)nccc2.Cl.Cl
• InChI: InChI=1S/C7H8N4.2ClH/c8-4-6-5-11-3-1-2-9-7(11)10-6;;/h1-3,5H,4,8H2;2*1H
• InChIKey: IRDVONLYTFXFAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyrimidin-2-ylmethanamine dihydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyrimidin-2-ylmethanamine dihydrochloride
• Synonyms: 1-Imidazo[1,2-a]pyrimidin-2-ylmethanamine dihydrochloride

Database IDs

• CAS Number: 843609-02-9
• MDL Number: MFCD11506241
• PubChem SID: 160987848
• PubChem CID: 51000070

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.720832
• 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