Basic information
- CAS
37587-38-5- Standard SMILES
COC(=O)c1cc(=O)[nH]c2c1c(=O)n(C)c(=O)n2C- InChIKey
XYELLQRXGRPSIA-UHFFFAOYSA-N- Molecular formula
- C11H11N3O5
- Average molar mass
- 265.22 g/mol
- Monoisotopic mass
- 265.06987046
Names & identifiers
- Preferred name
- Methyl 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- methyl 1,3-dimethyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-5-carboxylate
Names & synonyms
37587-38-5Methyl 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxylateNSC163558NSC 163558methyl 1,3-dimethyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-5-carboxylateMethyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylateMethyl 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido(2,3-d)pyrimidine-5-carboxylatemethyl 1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxylateDTXSID80191021AKOS005207550CCG-310387NSC-163558
Show more names
CS-0451832EN300-238359F2147-0526METHYL 1,3-DIMETHYL-2,4,7-TRIOXO-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMI+methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-5-carboxylate
Database identifiers
- CAS
37587-38-5- PubChem CID
- 294685
- DTXSID
DTXSID80191021
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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