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

C9H10N6O3S — CID 106928878

IUPAC[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
SMILESCc1nc(Sc2ncnc(NN)c2[N+](=O)[O-])oc1C
InChIInChI=1S/C9H10N6O3S/c1-4-5(2)18-9(13-4)19-8-6(15(16)17)7(14-10)11-3-12-8/h3H,10H2,1-2H3,(H,11,12,14)
InChIKeyGTFDQGCPIKMRID-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.43
Rot. Bonds4

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

[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 106928878) has the molecular formula C9H10N6O3S and a molecular weight of 282.28 g/mol. Its IUPAC name is [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
PubChem CID106928878
Molecular FormulaC9H10N6O3S
Molecular Weight282.28 g/mol
Exact Mass282.05
IUPAC Name[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
SMILESCc1nc(Sc2ncnc(NN)c2[N+](=O)[O-])oc1C
InChIInChI=1S/C9H10N6O3S/c1-4-5(2)18-9(13-4)19-8-6(15(16)17)7(14-10)11-3-12-8/h3H,10H2,1-2H3,(H,11,12,14)
InChIKeyGTFDQGCPIKMRID-UHFFFAOYSA-N
XLogP1.43
TPSA133.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
CID 80929075
(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80926659
5-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931340
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 112726508
3-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80930259
[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine
CID 107766184
N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 113221502
N-methyl-5-nitro-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887637
3-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanylbutan-1-ol
CID 80927305
N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine
CID 80886578
[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
CID 80924591
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931

Frequently Asked Questions

What is the IUPAC name of [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine (CID 106928878) is [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine is Cc1nc(Sc2ncnc(NN)c2[N+](=O)[O-])oc1C.
What is the InChIKey of [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is GTFDQGCPIKMRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3S/c1-4-5(2)18-9(13-4)19-8-6(15(16)17)7(14-10)11-3-12-8/h3H,10H2,1-2H3,(H,11,12,14).
What are the key properties of [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine?
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 282.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106928878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).