2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

• ChemBase ID: 289332
• Molecular Formular: C7H5Cl2N3
• Molecular Mass: 202.0407
• Monoisotopic Mass: 200.98605254
• SMILES: Cn1ccc2c(Cl)nc(Cl)nc12
• Canonical SMILES: Clc1nc(Cl)c2c(n1)n(C)cc2
• InChI: InChI=1S/C7H5Cl2N3/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3
• InChIKey: WIROGLUDZOMAPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
• IUPAC Traditional name: 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
• Synonyms: 2,4-Dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

Database IDs

• CAS Number: 90213-67-5
• PubChem SID: 180674863
• PubChem CID: 25230953

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4724076
• LogD (pH = 7.4): 2.4724078
• Log P: 2.4724078
• Molar Refractivity: 50.0228 cm^3
• Polarizability: 18.846977 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%