3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one

C23H23N3OS2 — CID 126117785

IUPAC3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCCCc1sc2nc(Sc3ccccn3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C
InChIInChI=1S/C23H23N3OS2/c1-5-8-18-16(4)20-21(28-18)25-23(29-19-9-6-7-12-24-19)26(22(20)27)17-11-10-14(2)15(3)13-17/h6-7,9-13H,5,8H2,1-4H3
InChIKeyCWBSQXNIFZVZRC-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.87
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one

3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 126117785) has the molecular formula C23H23N3OS2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID126117785
Molecular FormulaC23H23N3OS2
Molecular Weight421.59 g/mol
Exact Mass421.13
IUPAC Name3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCCCc1sc2nc(Sc3ccccn3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C
InChIInChI=1S/C23H23N3OS2/c1-5-8-18-16(4)20-21(28-18)25-23(29-19-9-6-7-12-24-19)26(22(20)27)17-11-10-14(2)15(3)13-17/h6-7,9-13H,5,8H2,1-4H3
InChIKeyCWBSQXNIFZVZRC-UHFFFAOYSA-N
XLogP5.87
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-(4-chlorophenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 126126338
3-(4-methoxyphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 126122429
3-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126122854
N-(2-chlorophenyl)-2-[3-(3,4-dimethylphenyl)-5-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 126120770
2-ethylsulfanyl-5-methyl-3-phenyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126125058
3-(3,4-dimethylphenyl)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126123150
5-methyl-3-phenyl-6-propyl-2-propylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 126117036
5-methyl-3-(3-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126127945
5-methyl-2-(naphthalen-2-ylmethylsulfanyl)-3-phenyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126120621
3-(4-ethylphenyl)-2-ethylsulfanyl-5-methyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126128852
3-(4-chlorophenyl)-5-methyl-6-propyl-2-propylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 126126190
ethyl 2-(5-methyl-4-oxo-3-phenyl-6-propylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 1049903

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one (CID 126117785) is 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one is CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CWBSQXNIFZVZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS2/c1-5-8-18-16(4)20-21(28-18)25-23(29-19-9-6-7-12-24-19)26(22(20)27)17-11-10-14(2)15(3)13-17/h6-7,9-13H,5,8H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 421.59 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-5-methyl-6-propyl-2-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 126117785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).