2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine

HCID 327404

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

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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