2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

• ChemBase ID: 265492
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: c12n(cnc1C(=O)N)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(nc2)C(=O)N
• InChI: InChI=1S/C9H10N4O/c1-5-3-6(2)13-4-11-7(8(10)14)9(13)12-5/h3-4H,1-2H3,(H2,10,14)
• InChIKey: VMSVWRMWCLCCAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
• IUPAC Traditional name: 2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
• Synonyms: 2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

Database IDs

• MDL Number: MFCD14705769
• PubChem SID: 164321402
• PubChem CID: 10821505

CALCULATED PROPERTIES

• Acid pKa: 13.41771
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8714643
• LogD (pH = 7.4): -0.87138325
• Log P: -0.8713826
• Molar Refractivity: 52.58 cm^3
• Polarizability: 18.809786 Å^3
• Polar Surface Area: 73.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 303 - 305°C
• Hydrophobicity(logP): 0.86

Product Information

• Purity: 95%