3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one

C14H16ClN3O3S — CID 118022330

IUPAC3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one
SMILESCCCc1cnc(S(C)(=O)=O)nc1-c1cc(Cl)c(=O)n(C)c1
InChIInChI=1S/C14H16ClN3O3S/c1-4-5-9-7-16-14(22(3,20)21)17-12(9)10-6-11(15)13(19)18(2)8-10/h6-8H,4-5H2,1-3H3
InChIKeyOZIIHWQRRKWIKY-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.85
Rot. Bonds4

About 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one

3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one (PubChem CID 118022330) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one
PubChem CID118022330
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one
SMILESCCCc1cnc(S(C)(=O)=O)nc1-c1cc(Cl)c(=O)n(C)c1
InChIInChI=1S/C14H16ClN3O3S/c1-4-5-9-7-16-14(22(3,20)21)17-12(9)10-6-11(15)13(19)18(2)8-10/h6-8H,4-5H2,1-3H3
InChIKeyOZIIHWQRRKWIKY-UHFFFAOYSA-N
XLogP1.85
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one?
The IUPAC name of 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one (CID 118022330) is 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one is CCCc1cnc(S(C)(=O)=O)nc1-c1cc(Cl)c(=O)n(C)c1.
What is the InChIKey of 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one?
The InChIKey is OZIIHWQRRKWIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-4-5-9-7-16-14(22(3,20)21)17-12(9)10-6-11(15)13(19)18(2)8-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one?
3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one has a molecular weight of 341.82 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one is sourced from PubChem (CID 118022330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).