Basic information
- CAS
13922-58-2- Standard SMILES
CN1COc2c(n(C)c(=O)[nH]c2=O)C1- InChIKey
MQKKBAAGUMVKAX-UHFFFAOYSA-N- Molecular formula
- C8H11N3O3
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.08004122
Names & identifiers
- Preferred name
- 3,5-Dimethyl-3,4-dihydro-2H-pyrimido(4,5-e)(1,3)oxazine-6,8(5H,7H)-dione
- IUPAC
- 3,5-dimethyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
Names & synonyms
NSC10226813922-58-2307QII18Y7NSC 1022683,5-Dimethyl-3,4-dihydro-2H-pyrimido(4,5-e)(1,3)oxazine-6,8(5H,7H)-dioneUNII-307QII18Y7NSC-1022683,4-Dihydro-8-hydroxy-3,5-dimethyl-2H-pyrimido(4,5-E)-1,3-oxazin-6(5H)-one3,5-Dimethyl-3,4-dihydro-2H-pyrimido[4,5-e][1,3]oxazine-6,8(5H,7H)-dione3,5-dimethyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dioneNCIOpen2_001674CHEMBL1970051
Show more names
DTXSID50160966NCI60_000065DS-013958{2H-Pyrimido[4,5-e][1,3]oxazin-2-one,} 1,6,7, 8-tetrahydro-4-hydroxy-1,7-dimethyl-2H-PYRIMIDO(4,5-E)-1,3-OXAZINE-6,8(5H,7H)-DIONE, 3,4-DIHYDRO-3,5-DIMETHYL-2H-Pyrimido[4,3]oxazin-2-one, 1,6,7,8-tetrahydro-4-hydroxy-1,7-dimethyl-
Database identifiers
- CAS
13922-58-2- PubChem CID
- 265772
- DTXSID
DTXSID50160966- ChEMBL
CHEMBL1970051- UNII
- 307QII18Y7
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…