[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine

C9H13N5O3S — CID 107766184

IUPAC[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine
SMILESCC1OCCC1Sc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N5O3S/c1-5-6(2-3-17-5)18-9-7(14(15)16)8(13-10)11-4-12-9/h4-6H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyFNONYAYSFCVFSD-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.94
Rot. Bonds4

About [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine

[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 107766184) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine
PubChem CID107766184
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine
SMILESCC1OCCC1Sc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N5O3S/c1-5-6(2-3-17-5)18-9-7(14(15)16)8(13-10)11-4-12-9/h4-6H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyFNONYAYSFCVFSD-UHFFFAOYSA-N
XLogP0.94
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.94
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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Related Compounds

5-ethyl-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765189
[6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 107766154
5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 107765164
N'-hydroxy-6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyridine-3-carboximidamide
CID 107749603
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
CID 106928878
5-ethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765165
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80926659
N-methyl-6-(3-methylcyclohexyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80889990
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80897108
5-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931340
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563

Frequently Asked Questions

What is the IUPAC name of [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine (CID 107766184) is [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine is CC1OCCC1Sc1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is FNONYAYSFCVFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-5-6(2-3-17-5)18-9-7(14(15)16)8(13-10)11-4-12-9/h4-6H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine?
[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 271.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107766184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).