[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine

C8H9N7O3S — CID 114045260

IUPAC[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine
SMILESCc1nnc(Sc2nc(NN)nc(C)c2[N+](=O)[O-])o1
InChIInChI=1S/C8H9N7O3S/c1-3-5(15(16)17)6(11-7(10-3)12-9)19-8-14-13-4(2)18-8/h9H2,1-2H3,(H,10,11,12)
InChIKeyQWZKHEIENITIPC-UHFFFAOYSA-N
MW283.27 g/mol
LogP0.82
Rot. Bonds4

About [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine

[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine (PubChem CID 114045260) has the molecular formula C8H9N7O3S and a molecular weight of 283.27 g/mol. Its IUPAC name is [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine
PubChem CID114045260
Molecular FormulaC8H9N7O3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine
SMILESCc1nnc(Sc2nc(NN)nc(C)c2[N+](=O)[O-])o1
InChIInChI=1S/C8H9N7O3S/c1-3-5(15(16)17)6(11-7(10-3)12-9)19-8-14-13-4(2)18-8/h9H2,1-2H3,(H,10,11,12)
InChIKeyQWZKHEIENITIPC-UHFFFAOYSA-N
XLogP0.82
TPSA145.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-amine
CID 114044810
methyl 3-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)sulfanylpropanoate
CID 114045253
[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 114045275
2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 114045206
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
CID 106928878
4-methyl-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 114044840
3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163701
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
N-hexan-2-yl-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045013
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one
CID 114045120

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine (CID 114045260) is [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine is Cc1nnc(Sc2nc(NN)nc(C)c2[N+](=O)[O-])o1.
What is the InChIKey of [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine?
The InChIKey is QWZKHEIENITIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O3S/c1-3-5(15(16)17)6(11-7(10-3)12-9)19-8-14-13-4(2)18-8/h9H2,1-2H3,(H,10,11,12).
What are the key properties of [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine?
[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine has a molecular weight of 283.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114045260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).