6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one

C10H15ClN2O3S — CID 106728637

IUPAC6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H15ClN2O3S/c1-7(2)17(15,16)5-4-13-8(3)12-9(11)6-10(13)14/h6-7H,4-5H2,1-3H3
InChIKeySARYXXRHSBQGIT-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.03
Rot. Bonds4

About 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one

6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one (PubChem CID 106728637) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
PubChem CID106728637
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H15ClN2O3S/c1-7(2)17(15,16)5-4-13-8(3)12-9(11)6-10(13)14/h6-7H,4-5H2,1-3H3
InChIKeySARYXXRHSBQGIT-UHFFFAOYSA-N
XLogP1.03
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Ethylsulfonylethyl)-5-iodo-2-methylpyrimidin-4-one
CID 66340694
5-Iodo-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728599
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-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
6-Chloro-5-iodo-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728651
6-Chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728653
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-ethylpyrimidin-4-one
CID 106728654
6-Chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728655

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one (CID 106728637) is 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCS(=O)(=O)C(C)C.
What is the InChIKey of 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one?
The InChIKey is SARYXXRHSBQGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-7(2)17(15,16)5-4-13-8(3)12-9(11)6-10(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one has a molecular weight of 278.76 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 106728637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).