Basic information
- Standard SMILES
Cc1nc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1- InChIKey
DEIGLICSSNUYPO-UHFFFAOYSA-N- Molecular formula
- C15H13N5O2S
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine
- IUPAC
- 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine
Names & synonyms
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine{4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl}-(3-nitro-phenyl)-amine2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 27CHEMBL45408BDBM8056CS16SCHEMBL6156443SCHEMBL29354713BDBM91749DEIGLICSSNUYPO-UHFFFAOYSA-NQ27451734
Show more names
16K
Database identifiers
- PubChem CID
- 6539293
- ChEMBL
CHEMBL45408
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
5 records
Compound notes
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