2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide

C9H14N6O3S — CID 114235264

IUPAC2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N6O3S/c1-2-3-11-6(16)4-19-9-7(15(17)18)8(14-10)12-5-13-9/h5H,2-4,10H2,1H3,(H,11,16)(H,12,13,14)
InChIKeySAYOHGIMXFGXOO-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.29
Rot. Bonds7

About 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide

2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide (PubChem CID 114235264) has the molecular formula C9H14N6O3S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide
PubChem CID114235264
Molecular FormulaC9H14N6O3S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N6O3S/c1-2-3-11-6(16)4-19-9-7(15(17)18)8(14-10)12-5-13-9/h5H,2-4,10H2,1H3,(H,11,16)(H,12,13,14)
InChIKeySAYOHGIMXFGXOO-UHFFFAOYSA-N
XLogP0.29
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.29
H-Bond Donors ≤ 53
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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Related Compounds

2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-N-propylacetamide
CID 112726544
3-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanylbutan-1-ol
CID 80927305
2-[5-nitro-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 113374057
6-[2-(diethylamino)ethylsulfanyl]-5-nitro-N-propylpyrimidin-4-amine
CID 80887407
[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
CID 80924591
2-[6-(ethylamino)-5-nitropyrimidin-4-yl]sulfanylethanol
CID 80884987
[6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
CID 80929075
ethyl 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]acetate
CID 80899244
(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80926659
6-cyclohexylsulfanyl-5-nitro-N-propylpyrimidin-4-amine
CID 80886211
ethyl 3-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80796696
3-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80930259

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide?
The IUPAC name of 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide (CID 114235264) is 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide is CCCNC(=O)CSc1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide?
The InChIKey is SAYOHGIMXFGXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3S/c1-2-3-11-6(16)4-19-9-7(15(17)18)8(14-10)12-5-13-9/h5H,2-4,10H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide?
2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide has a molecular weight of 286.32 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 114235264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).