Basic information
- CAS
338419-86-6- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)cn2c(C)cc(C)nc12- InChIKey
AROQIPUWZFGQRH-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- Ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate
- IUPAC
- ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate
- English name
- ETHYL 2,4-DIMETHYL-7-PHENYLPYRROLO[1,2-A]PYRIMIDINE-8-CARBOXYLATE
- Molecular formula
- C18H18N2O2
- Molecular weight
- 294.35
Names & synonyms
ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate338419-86-6Ethyl 2,4-dimethyl-7-phenylpyrrolo-[1,2-a]pyrimidine-8-carboxylateMFCD00171951Ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a] pyrimidine-8-carboxylateMLS000696155CHEMBL1414472HMS2661D06AKOS005070387SMR000333501CS-03327944F-964
Show more names
Pyrrolo[1,2-a]pyrimidine-8-carboxylic acid, 2,4-dimethyl-7-phenyl-, ethyl ester
ethyl2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate
Database identifiers
- CAS
338419-86-6- PubChem CID
- 2763889
- ChEMBL
CHEMBL1414472
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 135 · 135-138°C
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 0.79 · 0.79±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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