Basic information
- CAS
76692-36-9- Standard SMILES
CNC(=O)Nc1ccnc(=O)[nH]1- InChIKey
NIMOQXNDKSVILV-UHFFFAOYSA-N- Molecular formula
- C6H8N4O2
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.06472551
Names & identifiers
- Preferred name
- 1-methyl-3-(2-oxo-3H-pyrimidin-4-yl)urea
- IUPAC
- 1-methyl-3-(2-oxo-1H-pyrimidin-6-yl)urea
Names & synonyms
76692-36-91-methyl-3-(2-oxo-3H-pyrimidin-4-yl)ureaNSC367489SCHEMBL2463454DTXSID10320983NSC-367489DS-003093N-Methyl-N'-(2-oxo-2,3-dihydropyrimidin-4-yl)urea
Database identifiers
- CAS
76692-36-9- PubChem CID
- 339745
- DTXSID
DTXSID10320983- Nikkaji
- J2.217.973J
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…