Basic information
- CAS
21813-35-4- Standard SMILES
CCc1nc(N)nc(N)c1-c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
JUUBFXIMFOJFOF-UHFFFAOYSA-N- Molecular formula
- C12H12ClN5O2
- Average molar mass
- 293.71 g/mol
- Monoisotopic mass
- 293.0679523
Names & identifiers
- Preferred name
- 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine
- IUPAC
- 5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine
- English name
- 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine
- Molecular formula
- C12H12ClN5O2
- Molecular weight
- 293.71
Names & synonyms
21813-35-45-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidineUQ4SV9X6J6NSC302325UNII-UQ4SV9X6J6CHEMBL59530MLS002701796NSC 302325NSC-3023255-(4-Chloro-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine2,4-Pyrimidinediamine,5-(4-chloro-3-nitrophenyl)-6-ethyl-
Show more names
Aids006896Aids-0068962,4-DIAMINO-5-(4-CHLORO-3-NITRO-PHENYL)-6-ETHYLPYRIMIDINE
Neuro_000154SCHEMBL63592922,4-diamino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidineDTXSID30176227JUUBFXIMFOJFOF-UHFFFAOYSA-N2,4-Pyrimidinediamine, 5-(4-chloro-3-nitrophenyl)-6-ethyl-BDBM50058408AKOS032958148
Database identifiers
- CAS
21813-35-4- PubChem CID
- 327404
- DTXSID
DTXSID30176227- ChEMBL
CHEMBL59530- UNII
- UQ4SV9X6J6
- Nikkaji
- J239.839G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- FDA UNII
- 4 SV9X6J6 · UQ4SV9X6J6
Chemistry & industry
Suppliers2 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
21 records
Compound notes
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