[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine

C9H9N5O3S — CID 80924591

IUPAC[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(SCc2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O3S/c10-13-8-7(14(15)16)9(12-5-11-8)18-4-6-2-1-3-17-6/h1-3,5H,4,10H2,(H,11,12,13)
InChIKeyFVAKYIAOSJHZNQ-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.56
Rot. Bonds5

About [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine

[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 80924591) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID80924591
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(SCc2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O3S/c10-13-8-7(14(15)16)9(12-5-11-8)18-4-6-2-1-3-17-6/h1-3,5H,4,10H2,(H,11,12,13)
InChIKeyFVAKYIAOSJHZNQ-UHFFFAOYSA-N
XLogP1.56
TPSA120.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.56
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-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80926659
2-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 114235264
6-N-[(4-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 22528665
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-nitropyrimidin-4-amine
CID 62100387
N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489184
4-N-(furan-2-ylmethyl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 112725379
6-N-(furan-2-ylmethyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22528636
3-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanylbutan-1-ol
CID 80927305
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
CID 106928878
[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine
CID 107766184
N-ethyl-3-(furan-2-ylmethylsulfanyl)-2-nitroaniline
CID 80892997
6-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80782363

Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine (CID 80924591) is [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine is NNc1ncnc(SCc2ccco2)c1[N+](=O)[O-].
What is the InChIKey of [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is FVAKYIAOSJHZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c10-13-8-7(14(15)16)9(12-5-11-8)18-4-6-2-1-3-17-6/h1-3,5H,4,10H2,(H,11,12,13).
What are the key properties of [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine?
[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 267.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80924591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).