Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
299949-24-9- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(C)cc1- InChIKey
KTAAWYJATJFYRS-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- ETHYL 6-METHYL-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
- Molecular formula
- C15H18N2O3
- Molecular weight
- 274.32
Names & synonyms
299949-24-9ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateDTXSID90304509RefChem:344589DTXCID70255641ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateethyl 6-methyl-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylateMFCD00719779ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4- tetrahydro-5-pyrimidinecarboxylateNSC166058Maybridge1_008370
Show more names
BUTTPARK 78\40-44ET 6-METHYL-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(4-methylphenyl)-2-oxo-, ethyl ester
Oprea1_334968Oprea1_717943SCHEMBL1227524SCHEMBL28024297HMS565E10KTAAWYJATJFYRS-UHFFFAOYSA-NSTK364115AKOS000573678
Database identifiers
- CAS
299949-24-9- PubChem CID
- 296187
- DTXSID
DTXSID90304509- EC Number
- 103-378-6
- Nikkaji
- J1.565.368J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Melting point
- 218 · 218-219°C
- Boiling point
- 403.2 · 403.2±45.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 11.46 · 11.46±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
Loading…