1-(2-propylsulfonylethyl)pyrimidin-2-one

C9H14N2O3S — CID 106731609

IUPAC1-(2-propylsulfonylethyl)pyrimidin-2-one
SMILESCCCS(=O)(=O)CCn1cccnc1=O
InChIInChI=1S/C9H14N2O3S/c1-2-7-15(13,14)8-6-11-5-3-4-10-9(11)12/h3-5H,2,6-8H2,1H3
InChIKeyVCPBORDMNRYBCS-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.07
Rot. Bonds5

About 1-(2-propylsulfonylethyl)pyrimidin-2-one

1-(2-propylsulfonylethyl)pyrimidin-2-one (PubChem CID 106731609) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(2-propylsulfonylethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-propylsulfonylethyl)pyrimidin-2-one
PubChem CID106731609
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-(2-propylsulfonylethyl)pyrimidin-2-one
SMILESCCCS(=O)(=O)CCn1cccnc1=O
InChIInChI=1S/C9H14N2O3S/c1-2-7-15(13,14)8-6-11-5-3-4-10-9(11)12/h3-5H,2,6-8H2,1H3
InChIKeyVCPBORDMNRYBCS-UHFFFAOYSA-N
XLogP0.07
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(propylamino)propyl]pyrimidin-2-one
CID 61386974
1-(3,3-dimethylbutyl)pyrimidin-2-one
CID 116618251
1-[2-(ethylamino)ethyl]pyrimidin-2-one
CID 61386971
1-(3-methylbut-3-enyl)pyrimidin-2-one
CID 114476732
1-[2-(tert-butylamino)ethyl]pyrimidin-2-one
CID 61386947
1-(3-ethoxypropyl)pyrimidin-2-one
CID 116618417
1-(2-propylsulfonylethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 106716449
1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
CID 62562943
1-(9-bromononyl)pyrimidin-2-one
CID 105343065
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one
CID 106731659
1-(4,4,4-trifluorobutyl)pyrimidin-2-one
CID 116618423

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethyl)pyrimidin-2-one?
The IUPAC name of 1-(2-propylsulfonylethyl)pyrimidin-2-one (CID 106731609) is 1-(2-propylsulfonylethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-propylsulfonylethyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-propylsulfonylethyl)pyrimidin-2-one is CCCS(=O)(=O)CCn1cccnc1=O.
What is the InChIKey of 1-(2-propylsulfonylethyl)pyrimidin-2-one?
The InChIKey is VCPBORDMNRYBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-7-15(13,14)8-6-11-5-3-4-10-9(11)12/h3-5H,2,6-8H2,1H3.
What are the key properties of 1-(2-propylsulfonylethyl)pyrimidin-2-one?
1-(2-propylsulfonylethyl)pyrimidin-2-one has a molecular weight of 230.29 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfonylethyl)pyrimidin-2-one is sourced from PubChem (CID 106731609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).