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

C14H11F2N3O2S — CID 135637806

IUPAC5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1F)CC(=O)N2
InChIInChI=1S/C14H11F2N3O2S/c1-22-14-18-12-11(13(21)19-14)8(5-10(20)17-12)7-3-2-6(15)4-9(7)16/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21)
InChIKeyLAACZRNAMVMONV-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.24
Rot. Bonds2

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

5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135637806) has the molecular formula C14H11F2N3O2S and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135637806
Molecular FormulaC14H11F2N3O2S
Molecular Weight323.32 g/mol
Exact Mass323.05
IUPAC Name5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1F)CC(=O)N2
InChIInChI=1S/C14H11F2N3O2S/c1-22-14-18-12-11(13(21)19-14)8(5-10(20)17-12)7-3-2-6(15)4-9(7)16/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21)
InChIKeyLAACZRNAMVMONV-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-(2,4-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

Related Compounds

6-[1-(2,6-Difluorophenyl)ethyl]-5-methyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402740
5,5'-(Phenylmethylene)bis[2-(methylthio)-4,6-pyrimidinediol]
CID 2928718
5-(2,3-Difluorophenyl)-1-methyl-2-(propylsulfanyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 16014803
5-(4-fluorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135439631
5-(2-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135439638
5-(3-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135472220
8,8-Dimethyl-2-(methylsulfanyl)-5-phenyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-B]quinoline-4,6-dione
CID 135439712
5-(4-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135448492
2-Amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505636
2-Amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505648
2-Amino-5-(3-ethylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550466
2-Amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550471

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135637806) is 5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1F)CC(=O)N2.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is LAACZRNAMVMONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S/c1-22-14-18-12-11(13(21)19-14)8(5-10(20)17-12)7-3-2-6(15)4-9(7)16/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 5-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,4-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-(2,4-difluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135637806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).