Epiroprim
Basic information
- CAS
73090-70-7- Standard SMILES
CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1- InChIKey
NMARPFMJVCXSAV-UHFFFAOYSA-N- Molecular formula
- C19H23N5O2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.18517499
Overview
Epiroprim is a small molecule drug. Epiroprim has a monoisotopic molecular weight of 353.19 Da.
Names & identifiers
- Preferred name
- Epiroprim
- IUPAC
- 5-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine
- English name
- EPIROPRIM
- Molecular formula
- C19H23N5O2
- Molecular weight
- 353.41822
Names & synonyms
Epiroprim73090-70-7TCMDC-137295EpiroprimaEpiroprimeRo 11-8958Epiroprimum5-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamineRo-11-89589G69D95443DTXSID202233555-((3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl)pyrimidine-2,4-diamine
Show more names
Fenarimol Impurity 2 (Triarimol)5-(3,5-DIETHOXY-4-PYRROL-1-YL-BENZYL)-PYRIMIDINE-2,4-DIAMINE2,4-Diamino-5-[3,5-diethoxy-4-(1H-pyrrol-1-yl)benzyl]pyrimidineEPIROPRIM:5-(3,5-DIETHOXY-4-PYRROL-1-YL-BENZYL)-PYRIMIDINE-2,4-DIAMINE
RefChem:137284DTXCID20145846Epiroprim [INN]CHEMBL2803782,4-Diamino-5-(3,5-diethoxy-4-pyrrol-1-ylbenzyl)pyrimidineEpiroprime [INN-French]Epiroprimum [INN-Latin]Epiroprima [INN-Spanish]
Database identifiers
- CAS
73090-70-7- PubChem CID
- 68916
- DTXSID
DTXSID20223355- ChEMBL
CHEMBL280378- UNII
- 9G69D95443
- Nikkaji
- J11.243G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
DrugsPharmaceutical
LogP2.74
Physicochemical properties
- Boiling point
- 486.84 °C · 486.84°C (rough estimate)
- Density
- 1.2174 · 1.2174 (rough estimate)
- refractive index
- 1.76 · 1.7600 (estimate)
- FDA UNII
- 9 G69D95443 · 9G69D95443
Chemistry & industry
Applications
UsesEpiroprim (Ro11-8958) is a selective dihydrofolate reductase (DHFR) inhibitor. Epiroprim displays excellent activity against staphylococci, enterococci, pneumococci, and streptococci[1].
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Compound notes
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