[2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine

C6H9N5O2S2 — CID 5035239

IUPAC[2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)c([N+](=O)[O-])c(SC)n1
InChIInChI=1S/C6H9N5O2S2/c1-14-5-3(11(12)13)4(10-7)8-6(9-5)15-2/h7H2,1-2H3,(H,8,9,10)
InChIKeySHNUMXOGDJPOSE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.11
Rot. Bonds4

About [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine

[2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 5035239) has the molecular formula C6H9N5O2S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID5035239
Molecular FormulaC6H9N5O2S2
Molecular Weight247.30 g/mol
Exact Mass247.02
IUPAC Name[2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)c([N+](=O)[O-])c(SC)n1
InChIInChI=1S/C6H9N5O2S2/c1-14-5-3(11(12)13)4(10-7)8-6(9-5)15-2/h7H2,1-2H3,(H,8,9,10)
InChIKeySHNUMXOGDJPOSE-UHFFFAOYSA-N
XLogP1.11
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine (CID 5035239) is [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine is CSc1nc(NN)c([N+](=O)[O-])c(SC)n1.
What is the InChIKey of [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is SHNUMXOGDJPOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2S2/c1-14-5-3(11(12)13)4(10-7)8-6(9-5)15-2/h7H2,1-2H3,(H,8,9,10).
What are the key properties of [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine?
[2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 247.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 5035239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).