3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol

C9H16N4O2S — CID 80938523

IUPAC3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCCc1nc(NN)cc(SCC(O)CO)n1
InChIInChI=1S/C9H16N4O2S/c1-2-7-11-8(13-10)3-9(12-7)16-5-6(15)4-14/h3,6,14-15H,2,4-5,10H2,1H3,(H,11,12,13)
InChIKeyJOBRLDJSRBDCCJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.23
Rot. Bonds6

About 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol

3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol (PubChem CID 80938523) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
PubChem CID80938523
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCCc1nc(NN)cc(SCC(O)CO)n1
InChIInChI=1S/C9H16N4O2S/c1-2-7-11-8(13-10)3-9(12-7)16-5-6(15)4-14/h3,6,14-15H,2,4-5,10H2,1H3,(H,11,12,13)
InChIKeyJOBRLDJSRBDCCJ-UHFFFAOYSA-N
XLogP-0.23
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
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-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 80937394
3-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80937744
[6-(2-methylpropylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947009
[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
CID 80940205
3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80929005
3-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80895045
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
3-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80963754
3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80937587
3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 115916082
4-(2,3-dihydroxypropylsulfanyl)-2-ethyl-1H-pyrimidin-6-one
CID 114578951

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol (CID 80938523) is 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol is CCc1nc(NN)cc(SCC(O)CO)n1.
What is the InChIKey of 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The InChIKey is JOBRLDJSRBDCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-7-11-8(13-10)3-9(12-7)16-5-6(15)4-14/h3,6,14-15H,2,4-5,10H2,1H3,(H,11,12,13).
What are the key properties of 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol has a molecular weight of 244.32 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 80938523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).