4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol

C10H16N2O3S — CID 65095491

IUPAC4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1ccncn1
InChIInChI=1S/C10H16N2O3S/c1-2-16(14,15)7-3-4-10(13)9-5-6-11-8-12-9/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyWYPPJLYAVFCKKM-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.72
Rot. Bonds6

About 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol

4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol (PubChem CID 65095491) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol
PubChem CID65095491
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1ccncn1
InChIInChI=1S/C10H16N2O3S/c1-2-16(14,15)7-3-4-10(13)9-5-6-11-8-12-9/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyWYPPJLYAVFCKKM-UHFFFAOYSA-N
XLogP0.72
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol (CID 65095491) is 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol is CCS(=O)(=O)CCCC(O)c1ccncn1.
What is the InChIKey of 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol?
The InChIKey is WYPPJLYAVFCKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-16(14,15)7-3-4-10(13)9-5-6-11-8-12-9/h5-6,8,10,13H,2-4,7H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol?
4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol has a molecular weight of 244.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol is sourced from PubChem (CID 65095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).