[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine

C12H16N4O2S — CID 113402000

IUPAC[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(SCc2ccco2)n1
InChIInChI=1S/C12H16N4O2S/c1-2-17-7-11-14-10(16-13)6-12(15-11)19-8-9-4-3-5-18-9/h3-6H,2,7-8,13H2,1H3,(H,14,15,16)
InChIKeyQSSILPPLKPLQCM-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.18
Rot. Bonds7

About [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine

[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 113402000) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID113402000
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(SCc2ccco2)n1
InChIInChI=1S/C12H16N4O2S/c1-2-17-7-11-14-10(16-13)6-12(15-11)19-8-9-4-3-5-18-9/h3-6H,2,7-8,13H2,1H3,(H,14,15,16)
InChIKeyQSSILPPLKPLQCM-UHFFFAOYSA-N
XLogP2.18
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928791
methyl 3-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]sulfanylpropanoate
CID 113402006
N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
CID 80893554
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
2-ethyl-N-(furan-2-ylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80937643
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
butane;ethane;2-(ethoxymethyl)furan
CID 143895142
[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine
CID 113401955
2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765335
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
CID 91863097

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine (CID 113402000) is [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine is CCOCc1nc(NN)cc(SCc2ccco2)n1.
What is the InChIKey of [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QSSILPPLKPLQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-17-7-11-14-10(16-13)6-12(15-11)19-8-9-4-3-5-18-9/h3-6H,2,7-8,13H2,1H3,(H,14,15,16).
What are the key properties of [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 280.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 113402000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).