1-(6-Chloropyrimidin-4-yl)-1-methyl-3-(2-methyl-5-nitrophenyl)urea
Basic information
- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)c1cc(Cl)ncn1- InChIKey
VHJWHQQAJVYVTP-UHFFFAOYSA-N- Molecular formula
- C13H12ClN5O3
- Average molar mass
- 321.72 g/mol
- Monoisotopic mass
- 321.062867
Names & identifiers
- Preferred name
- 1-(6-Chloropyrimidin-4-yl)-1-methyl-3-(2-methyl-5-nitrophenyl)urea
- IUPAC
- 1-(6-chloropyrimidin-4-yl)-1-methyl-3-(2-methyl-5-nitrophenyl)urea
Names & synonyms
SCHEMBL374506
Database identifiers
- PubChem CID
- 57710327
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
2 records
Compound notes
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