3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione

C16H21N3O3S — CID 46923165

IUPAC3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C16H21N3O3S/c1-2-3-9-18-15(21)14-12(6-10-23-14)19(16(18)22)11-13(20)17-7-4-5-8-17/h6,10H,2-5,7-9,11H2,1H3
InChIKeyYZXSGVAJXJIKBK-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.65
Rot. Bonds5

About 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione

3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 46923165) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID46923165
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C16H21N3O3S/c1-2-3-9-18-15(21)14-12(6-10-23-14)19(16(18)22)11-13(20)17-7-4-5-8-17/h6,10H,2-5,7-9,11H2,1H3
InChIKeyYZXSGVAJXJIKBK-UHFFFAOYSA-N
XLogP1.65
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486171
3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46923245
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide
CID 46923206
4-[[1-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]-N-propylcyclohexane-1-carboxamide
CID 20952422
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 46923168
N-(4-acetylphenyl)-2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923229
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46923188
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46923261
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 46923214
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
CID 71956368
ethyl 1-[2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]piperidine-4-carboxylate
CID 46923128
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 46923263

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 46923165) is 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione is CCCCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YZXSGVAJXJIKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-3-9-18-15(21)14-12(6-10-23-14)19(16(18)22)11-13(20)17-7-4-5-8-17/h6,10H,2-5,7-9,11H2,1H3.
What are the key properties of 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 335.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 46923165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).