6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine

HCID 4602007

Notes Reactions

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Basic information

CAS: 118344-67-5
Standard SMILES: CCc1nc(N)nc(N)c1-c1ccc(NC)c([N+](=O)[O-])c1
InChIKey: UEBWOKUSTFIFOC-UHFFFAOYSA-N
Molecular formula: C13H16N6O2
Average molar mass: 288.31 g/mol
Monoisotopic mass: 288.13347377

Names & identifiers

Preferred name: 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
IUPAC: 6-ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine

Names & synonyms

118344-67-56-ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine6-Ethyl-5-(4-(methylamino)-3-nitrophenyl)pyrimidine-2,4-diamineNSC382034Neuro_000219CHEMBL310062SCHEMBL8588709DTXSID10404757UEBWOKUSTFIFOC-UHFFFAOYSA-NNSC-382034NCI60_0036422, 6-ethyl-5-[4-(methylamino)- 3-nitrophenyl]-

Show more names

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

Database identifiers

CAS: 118344-67-5
PubChem CID: 4602007
DTXSID: DTXSID10404757
ChEMBL: CHEMBL310062
Nikkaji: J239.841I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 136 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 363

Related reactions

2 records

New reaction record

HRID 981515As productuspto-grants-1991_02

HRID 2350455As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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