[5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine

C10H8BrN5O2S — CID 114073888

IUPAC[5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(Sc2ccc([N+](=O)[O-])cc2)c1Br
InChIInChI=1S/C10H8BrN5O2S/c11-8-9(15-12)13-5-14-10(8)19-7-3-1-6(2-4-7)16(17)18/h1-5H,12H2,(H,13,14,15)
InChIKeyOTMPYVSTFVUGKP-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.58
Rot. Bonds4

About [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine

[5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 114073888) has the molecular formula C10H8BrN5O2S and a molecular weight of 342.18 g/mol. Its IUPAC name is [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID114073888
Molecular FormulaC10H8BrN5O2S
Molecular Weight342.18 g/mol
Exact Mass340.96
IUPAC Name[5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(Sc2ccc([N+](=O)[O-])cc2)c1Br
InChIInChI=1S/C10H8BrN5O2S/c11-8-9(15-12)13-5-14-10(8)19-7-3-1-6(2-4-7)16(17)18/h1-5H,12H2,(H,13,14,15)
InChIKeyOTMPYVSTFVUGKP-UHFFFAOYSA-N
XLogP2.58
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.58
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

N,5-dimethyl-6-(4-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80883862
(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80926659
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413
4-chloro-6-(4-nitrophenyl)sulfanyl-5-propylpyrimidine
CID 63730820
2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
CID 10883644
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
CID 19149700
3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
CID 102761369
5-bromo-6-(2-nitrophenyl)sulfanylpyrimidin-4-amine
CID 114073819
[3-(4-nitrophenyl)pyrazin-2-yl]hydrazine
CID 112559568
N-tert-butyl-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 23478660

Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine (CID 114073888) is [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine is NNc1ncnc(Sc2ccc([N+](=O)[O-])cc2)c1Br.
What is the InChIKey of [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is OTMPYVSTFVUGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O2S/c11-8-9(15-12)13-5-14-10(8)19-7-3-1-6(2-4-7)16(17)18/h1-5H,12H2,(H,13,14,15).
What are the key properties of [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine?
[5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 342.18 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114073888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).