3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one

C24H29N3O3S2 — CID 126123150

IUPAC3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C
InChIInChI=1S/C24H29N3O3S2/c1-5-6-19-17(4)21-22(32-19)25-24(31-14-20(28)26-9-11-30-12-10-26)27(23(21)29)18-8-7-15(2)16(3)13-18/h7-8,13H,5-6,9-12,14H2,1-4H3
InChIKeyLYIRVTPALKONEA-UHFFFAOYSA-N
MW471.65 g/mol
LogP4.28
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one

3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 126123150) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID126123150
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC Name3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C
InChIInChI=1S/C24H29N3O3S2/c1-5-6-19-17(4)21-22(32-19)25-24(31-14-20(28)26-9-11-30-12-10-26)27(23(21)29)18-8-7-15(2)16(3)13-18/h7-8,13H,5-6,9-12,14H2,1-4H3
InChIKeyLYIRVTPALKONEA-UHFFFAOYSA-N
XLogP4.28
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-[3-(3,4-dimethylphenyl)-5-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 126120770
3-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126122854
3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 126117785
ethyl 2-(5-methyl-4-oxo-3-phenyl-6-propylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 1049903
3-(4-chlorophenyl)-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-5-methyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126126890
3-(4-ethylphenyl)-5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 1021194
N-(3-chloro-4-methylphenyl)-2-(5-methyl-4-oxo-3-phenyl-6-propylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 126120614
3-(4-ethylphenyl)-2-ethylsulfanyl-5-methyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126128852
2-ethylsulfanyl-5-methyl-3-phenyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126125058
5-methyl-3-(3-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126127945
3-(4-chlorophenyl)-5-methyl-6-propyl-2-propylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 126126190
N-(4-ethylphenyl)-2-[3-(4-ethylphenyl)-5-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 126119327

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one (CID 126123150) is 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one is CCCc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is LYIRVTPALKONEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-5-6-19-17(4)21-22(32-19)25-24(31-14-20(28)26-9-11-30-12-10-26)27(23(21)29)18-8-7-15(2)16(3)13-18/h7-8,13H,5-6,9-12,14H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one?
3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 471.65 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 126123150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).