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

C14H11Cl2N3O2S — CID 135439647

IUPAC5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)C(c1cccc(Cl)c1Cl)CC(=O)N2
InChIInChI=1S/C14H11Cl2N3O2S/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)
InChIKeyFTZFXLXDUIEASS-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.27
Rot. Bonds2

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

5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135439647) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135439647
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC Name5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)C(c1cccc(Cl)c1Cl)CC(=O)N2
InChIInChI=1S/C14H11Cl2N3O2S/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)
InChIKeyFTZFXLXDUIEASS-UHFFFAOYSA-N
XLogP3.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

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
5-(4-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135448492
2-Amino-5-(3-chlorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135472148
2-amino-5-(2-chloro-6-fluorophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135413797
5-{(2-chlorophenyl)[4-hydroxy-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]methyl}-6-hydroxy-2-(methylsulfanyl)-4(3H)-pyrimidinone
CID 4199790
4-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione
CID 5297288
2-{[(3-Chlorophenyl)methyl]sulfanyl}-5-(2,4-difluorophenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135969280
2-{[(2-Chlorophenyl)methyl]sulfanyl}-5-(2,4-difluorophenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135969281
2-{[(3-Chlorophenyl)methyl]sulfanyl}-5-(3,5-difluorophenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135969262
2-{[(2-Chlorophenyl)methyl]sulfanyl}-5-(3,5-difluorophenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135969263
2-{[(3-Chlorophenyl)methyl]sulfanyl}-5-(2,3-difluorophenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135969272

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135439647) is 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CSc1nc2c(c(=O)[nH]1)C(c1cccc(Cl)c1Cl)CC(=O)N2.
What is the InChIKey of 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is FTZFXLXDUIEASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/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-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 356.23 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135439647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).