Basic information
- CAS
16867-53-1- Standard SMILES
CCOC(=O)c1cnc2cccc(C)n2c1=O- InChIKey
ZLYHSYOPYSDSHB-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 6-methyl-4-oxo-, ethyl ester
- IUPAC
- ethyl 6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
- English name
- 6-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
16867-53-1MZ-1046-Methyl-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-carboxylic acid ethyl esterBRN 07497256-Methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl esterMZ 1044H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 6-methyl-4-oxo-, ethyl esterDTXSID101685894H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 6-methyl-4-oxo-, ethyl ester3-Carbethoxy-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one3-Carboethoxy-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one3-Carbethoxy-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
Show more names
6-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER(WXC07179)ethyl 6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate/ 6-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
3-Carboethoxy-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-oneRefChem:100704DTXCID3091080ZLYHSYOPYSDSHB-UHFFFAOYSA-NEthyl 6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylateethyl 6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylateMFCD01690161SCHEMBL11248747
Database identifiers
- CAS
16867-53-1- PubChem CID
- 85616
- DTXSID
DTXSID10168589- Nikkaji
- J45.161D
Properties
Computed structural properties
- XLogP
- 1
- 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
SpringerMaterials PropertiesCrystal structure
LogP0.96
Physicochemical properties
- Melting point
- 98 · 98-100 °C
- Boiling point
- 362.5 · 362.5±52.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 2.49 · 2.49±0.10(Predicted)
- Toxicity
- 50 intravenous · LD50 intravenous in rat: 269mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in rat: 269mg/kg
Chemistry & industry
Suppliers11 total
杭州莱晟生物科技有限公司13456210265 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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