6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one

C12H17ClN2O3S — CID 106728655

IUPAC6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
SMILESCCCS(=O)(=O)CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C12H17ClN2O3S/c1-2-6-19(17,18)7-5-15-11(16)8-10(13)14-12(15)9-3-4-9/h8-9H,2-7H2,1H3
InChIKeyUTPCISGEHIUODH-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.60
Rot. Bonds6

About 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one

6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one (PubChem CID 106728655) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
PubChem CID106728655
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
SMILESCCCS(=O)(=O)CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C12H17ClN2O3S/c1-2-6-19(17,18)7-5-15-11(16)8-10(13)14-12(15)9-3-4-9/h8-9H,2-7H2,1H3
InChIKeyUTPCISGEHIUODH-UHFFFAOYSA-N
XLogP1.60
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728637
6-Chloro-2-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728638
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-methylpyrimidin-4-one
CID 106728639
6-Chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728653
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-ethylpyrimidin-4-one
CID 106728654
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-cyclopropylpyrimidin-4-one
CID 106728656
6-Chloro-2-propan-2-yl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728657
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 106728658
6-Chloro-3-(3-ethylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-one
CID 113604614
6-Chloro-2-ethyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 113870575
6-Chloro-2-cyclopropyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 113870576
6-Chloro-2-propan-2-yl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 113870577

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one (CID 106728655) is 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one is CCCS(=O)(=O)CCn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The InChIKey is UTPCISGEHIUODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-2-6-19(17,18)7-5-15-11(16)8-10(13)14-12(15)9-3-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one has a molecular weight of 304.80 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 106728655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).