5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one

C8H10Cl2N2O3S — CID 114582887

IUPAC5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one
SMILESCS(=O)(=O)CCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O3S/c1-16(14,15)4-2-3-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3
InChIKeyUYMSRVAMBZKPMM-UHFFFAOYSA-N
MW285.15 g/mol
LogP0.98
Rot. Bonds4

About 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one

5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one (PubChem CID 114582887) has the molecular formula C8H10Cl2N2O3S and a molecular weight of 285.15 g/mol. Its IUPAC name is 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one
PubChem CID114582887
Molecular FormulaC8H10Cl2N2O3S
Molecular Weight285.15 g/mol
Exact Mass283.98
IUPAC Name5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one
SMILESCS(=O)(=O)CCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O3S/c1-16(14,15)4-2-3-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3
InChIKeyUYMSRVAMBZKPMM-UHFFFAOYSA-N
XLogP0.98
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728640
6-Chloro-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728641
3-(2-Tert-butylsulfonylethyl)-6-chloropyrimidin-4-one
CID 106728642
5,6-Dichloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728646
5,6-Dichloro-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728647
3-(2-Tert-butylsulfonylethyl)-5,6-dichloropyrimidin-4-one
CID 106728648
5-Bromo-6-chloro-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728650
6-Chloro-5-iodo-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728651
6-Chloro-5-iodo-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728652
3-(2-Tert-butylsulfonylethyl)-6-chloro-5-iodopyrimidin-4-one
CID 113870574
6-Chloro-2-methyl-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 114581591
6-Chloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 114582019

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one (CID 114582887) is 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one is CS(=O)(=O)CCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one?
The InChIKey is UYMSRVAMBZKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O3S/c1-16(14,15)4-2-3-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3.
What are the key properties of 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one?
5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one has a molecular weight of 285.15 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one is sourced from PubChem (CID 114582887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).