2,4-Bis(3,5-dimethylpyrazol-1-yl)pyrimidine
Basic information
- CAS
52476-67-2- Standard SMILES
Cc1cc(C)n(-c2ccnc(-n3nc(C)cc3C)n2)n1- InChIKey
GLSLPXNWNSLXSK-UHFFFAOYSA-N- Molecular formula
- C14H16N6
- Average molar mass
- 268.32 g/mol
- Monoisotopic mass
- 268.14364454
Names & identifiers
- Preferred name
- 2,4-Bis(3,5-dimethylpyrazol-1-yl)pyrimidine
- IUPAC
- 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine
Names & synonyms
52476-67-2NSC 2703952,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidineNSC270395DTXSID70313452NSC-2703952,4-Bis(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
Database identifiers
- CAS
52476-67-2- PubChem CID
- 321063
- DTXSID
DTXSID70313452
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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