Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-(p-nitrophenyl)-
Basic information
- CAS
4323-52-8- Standard SMILES
Cc1cc(C)nc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)n1- InChIKey
HYKDTXOZJZCRBV-UHFFFAOYSA-N- Molecular formula
- C13H13N5O3
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.10183929
Names & identifiers
- Preferred name
- Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-(p-nitrophenyl)-
- IUPAC
- 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-nitrophenyl)urea
Names & synonyms
BRN 0308365Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-(p-nitrophenyl)-4323-52-81-(p-Nitrophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)ureaDTXSID501957984-25-00-02209 (Beilstein Handbook Reference)RefChem:387427DTXCID90118289AKOS024300297N-(4,6-Dimethylpyrimidin-2-yl)-N'-(4-nitrophenyl)urea
Database identifiers
- CAS
4323-52-8- PubChem CID
- 199514
- DTXSID
DTXSID50195798- Nikkaji
- J48.922K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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