Ethyl 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
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Basic information
- CAS
16878-14-1- Standard SMILES
CCOC(=O)c1cnc2c(C)cccn2c1=O- InChIKey
ZXNPJNYRDHFJBV-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- Ethyl 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
- IUPAC
- ethyl 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
- English name
- 9-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
16878-14-1ethyl 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylateEthyl 9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 9-methyl-4-oxo-, ethyl ester9-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTERZXNPJNYRDHFJBV-UHFFFAOYSA-NSCHEMBL2220072DTXSID601347471MFCD18430689AKOS015971157BS-21712
Show more names
9-Methyl-4H-Pyrido[1,2-a]pyrimidine-4-oxo-3-carboxylic acid ethyl ester
CS-0090914D74989Q63396626ethyl9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylateethyl 9-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylateEthyl 9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate #
Database identifiers
- CAS
16878-14-1- PubChem CID
- 564334
- DTXSID
DTXSID601347471- Nikkaji
- J45.164I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 498
Experimental & physicochemical properties
LogP1.16
Physicochemical properties
- Boiling point
- 362.5 · 362.5±52.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 1.75 · 1.75±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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