5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

C15H13Cl2N3O2S — CID 6496289

IUPAC5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc(=O)c2c(n1C)NC(=O)CC2c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N3O2S/c1-20-13-11(14(22)19-15(20)23-2)8(6-10(21)18-13)7-4-3-5-9(16)12(7)17/h3-5,8H,6H2,1-2H3,(H,18,21)
InChIKeyVGGWNAFHPOKEBT-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.28
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 6496289) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID6496289
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc(=O)c2c(n1C)NC(=O)CC2c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N3O2S/c1-20-13-11(14(22)19-15(20)23-2)8(6-10(21)18-13)7-4-3-5-9(16)12(7)17/h3-5,8H,6H2,1-2H3,(H,18,21)
InChIKeyVGGWNAFHPOKEBT-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 6496289) is 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is CSc1nc(=O)c2c(n1C)NC(=O)CC2c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is VGGWNAFHPOKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-20-13-11(14(22)19-15(20)23-2)8(6-10(21)18-13)7-4-3-5-9(16)12(7)17/h3-5,8H,6H2,1-2H3,(H,18,21).
What are the key properties of 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 370.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 6496289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).