5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C14H11F2N3O2S — CID 135546798

IUPAC5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)C(c1cccc(F)c1F)CC(=O)N2
InChIInChI=1S/C14H11F2N3O2S/c1-22-14-18-12-10(13(21)19-14)7(5-9(20)17-12)6-3-2-4-8(15)11(6)16/h2-4,7H,5H2,1H3,(H2,17,18,19,20,21)
InChIKeyXVAMDQGNCAYOLZ-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.24
Rot. Bonds2

About 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135546798) has the molecular formula C14H11F2N3O2S and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135546798
Molecular FormulaC14H11F2N3O2S
Molecular Weight323.32 g/mol
Exact Mass323.05
IUPAC Name5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)C(c1cccc(F)c1F)CC(=O)N2
InChIInChI=1S/C14H11F2N3O2S/c1-22-14-18-12-10(13(21)19-14)7(5-9(20)17-12)6-3-2-4-8(15)11(6)16/h2-4,7H,5H2,1H3,(H2,17,18,19,20,21)
InChIKeyXVAMDQGNCAYOLZ-UHFFFAOYSA-N
XLogP2.24
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione 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 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135546798) is 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CSc1nc2c(c(=O)[nH]1)C(c1cccc(F)c1F)CC(=O)N2.
What is the InChIKey of 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is XVAMDQGNCAYOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S/c1-22-14-18-12-10(13(21)19-14)7(5-9(20)17-12)6-3-2-4-8(15)11(6)16/h2-4,7H,5H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 323.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135546798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).