5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

• ChemBase ID: 144127
• Molecular Formular: C8H10N4
• Molecular Mass: 162.1918
• Monoisotopic Mass: 162.09054634
• SMILES: Cc1cc(n2c(n1)cc(n2)N)C
• Canonical SMILES: Cc1cc(C)n2c(n1)cc(n2)N
• InChI: InChI=1S/C8H10N4/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3,(H2,9,11)
• InChIKey: JTTOBYJUZIFSFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
• IUPAC Traditional name: 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
• Synonyms: 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine; 5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-amine

Database IDs

• CAS Number: 1605-78-3
• MDL Number: MFCD09055316
• PubChem SID: 162238344
• PubChem CID: 28063903

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7470881
• LogD (pH = 7.4): 0.74940604
• Log P: 0.74943566
• Molar Refractivity: 58.5287 cm^3
• Polarizability: 17.047024 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H10N4

DETAILS

Sigma Aldrich - CBR00489

Other Notes
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Legal Information
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