5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C19H18ClN3O3S — CID 7424392

IUPAC5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1SCC(=O)c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H18ClN3O3S/c1-4-11-9-21-17-15(18(25)23(3)19(26)22(17)2)16(11)27-10-14(24)12-5-7-13(20)8-6-12/h5-9H,4,10H2,1-3H3
InChIKeyYZDAMRCOEKWCOS-UHFFFAOYSA-N
MW403.89 g/mol
LogP2.82
Rot. Bonds5

About 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 7424392) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID7424392
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1SCC(=O)c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H18ClN3O3S/c1-4-11-9-21-17-15(18(25)23(3)19(26)22(17)2)16(11)27-10-14(24)12-5-7-13(20)8-6-12/h5-9H,4,10H2,1-3H3
InChIKeyYZDAMRCOEKWCOS-UHFFFAOYSA-N
XLogP2.82
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 7424392) is 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1SCC(=O)c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YZDAMRCOEKWCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-4-11-9-21-17-15(18(25)23(3)19(26)22(17)2)16(11)27-10-14(24)12-5-7-13(20)8-6-12/h5-9H,4,10H2,1-3H3.
What are the key properties of 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 403.89 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7424392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).