1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one

C22H20N4O4S2 — CID 134201905

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one
SMILESCOc1ccc(Cn2cc(-c3cc(-c4nccs4)nc(S(C)=O)n3)ccc2=O)cc1OC
InChIInChI=1S/C22H20N4O4S2/c1-29-18-6-4-14(10-19(18)30-2)12-26-13-15(5-7-20(26)27)16-11-17(21-23-8-9-31-21)25-22(24-16)32(3)28/h4-11,13H,12H2,1-3H3
InChIKeyQMKIZUKUCYSWGW-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.23
Rot. Bonds7

About 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one

1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one (PubChem CID 134201905) has the molecular formula C22H20N4O4S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one
PubChem CID134201905
Molecular FormulaC22H20N4O4S2
Molecular Weight468.56 g/mol
Exact Mass468.09
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one
SMILESCOc1ccc(Cn2cc(-c3cc(-c4nccs4)nc(S(C)=O)n3)ccc2=O)cc1OC
InChIInChI=1S/C22H20N4O4S2/c1-29-18-6-4-14(10-19(18)30-2)12-26-13-15(5-7-20(26)27)16-11-17(21-23-8-9-31-21)25-22(24-16)32(3)28/h4-11,13H,12H2,1-3H3
InChIKeyQMKIZUKUCYSWGW-UHFFFAOYSA-N
XLogP3.23
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one (CID 134201905) is 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one is COc1ccc(Cn2cc(-c3cc(-c4nccs4)nc(S(C)=O)n3)ccc2=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is QMKIZUKUCYSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S2/c1-29-18-6-4-14(10-19(18)30-2)12-26-13-15(5-7-20(26)27)16-11-17(21-23-8-9-31-21)25-22(24-16)32(3)28/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one?
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 468.56 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-5-[2-methylsulfinyl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 134201905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).