Ethyl 4-(methylamino)-2-phenylpyrimidine-5-carboxylate
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Basic information
- CAS
226954-89-8- Standard SMILES
CCOC(=O)c1cnc(-c2ccccc2)nc1NC- InChIKey
HEHYETXFNXZAOB-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.11642673
Names & identifiers
- Preferred name
- Ethyl 4-(methylamino)-2-phenylpyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(methylamino)-2-phenylpyrimidine-5-carboxylate
- English name
- ethyl 4-(methylamino)-2-phenylpyrimidine-5-carboxylate
- Molecular formula
- C14H15N3O2
- Molecular weight
- 257.29
Names & synonyms
226954-89-8ethyl 4-(methylamino)-2-phenylpyrimidine-5-carboxylateethyl 4-(methylamino)-2-phenyl-5-pyrimidinecarboxylateMFCD00476792CBMicro_018863Oprea1_522535Oprea1_704592SCHEMBL5914410HEHYETXFNXZAOB-UHFFFAOYSA-NCCG-6617AKOS00055476811M-503S
Show more names
5-Pyrimidinecarboxylic acid, 4-(methylamino)-2-phenyl-, ethyl ester
DA-07922BIM-0018771.P001ST50979414ethyl 4-methylamino-2-phenylpyrimidine-5-carboxylateethyl4-(methylamino)-2-phenylpyrimidine-5-carboxylateethyl 4-(methylamino)-2-phenyl-pyrimidine-5-carboxylate
Database identifiers
- CAS
226954-89-8- PubChem CID
- 755249
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 339.6 · 339.6±35.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- pka
- 3.6 · 3.60±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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