[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine

C12H13N5O2S — CID 80939777

IUPAC[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Sc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H13N5O2S/c1-2-10-14-11(16-13)7-12(15-10)20-9-6-4-3-5-8(9)17(18)19/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyDCGYDYAPWRHITM-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.38
Rot. Bonds5

About [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine

[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80939777) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID80939777
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Sc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H13N5O2S/c1-2-10-14-11(16-13)7-12(15-10)20-9-6-4-3-5-8(9)17(18)19/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyDCGYDYAPWRHITM-UHFFFAOYSA-N
XLogP2.38
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80943848
4-N-ethyl-6-(2-nitrophenyl)sulfanylpyrimidine-2,4-diamine
CID 80884456
[6-(2-nitrophenyl)sulfanylpyrazin-2-yl]hydrazine
CID 80921214
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
2-chloro-4-methyl-6-(2-nitrophenyl)sulfanylpyrimidine
CID 62480994
[2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80938720
[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938296
[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656024
N,6-dimethyl-2-[(2-nitrophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 80654239
3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80938523
4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine
CID 115417324

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine (CID 80939777) is [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Sc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is DCGYDYAPWRHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-2-10-14-11(16-13)7-12(15-10)20-9-6-4-3-5-8(9)17(18)19/h3-7H,2,13H2,1H3,(H,14,15,16).
What are the key properties of [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine?
[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 291.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80939777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).