Methyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Basic information
- CAS
301319-88-0- Standard SMILES
COC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(O)c1- InChIKey
APTLCCHLQRUOLE-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- Methyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- methyl 6-(3-hydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
- English name
- 4-(3-Hydroxy-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
301319-88-0methyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateDTXSID50386285RefChem:355370DTXCID40337307MFCD00718126methyl 6-(3-hydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylatemethyl4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateCBMicro_049075Oprea1_203070Oprea1_3757744-(3-HYDROXY-PHENYL)-1,6-DIMETHYL-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
Show more names
CHEMBRDG-BB 56478045-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-, methyl estermethyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(SALTDATA: FREE)
STK363263AKOS000652619AKOS022064400SB59336BS-37567ST013310BIM-0049128.P001DB-198726
Database identifiers
- CAS
301319-88-0- PubChem CID
- 2857783
- DTXSID
DTXSID50386285
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Boiling point
- 512.2 · 512.2±50.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 9.74 · 9.74±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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