2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide

C16H23N3O3S — CID 141463416

IUPAC2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
SMILESCCCCn1c(=O)n(CC(=O)NC(C)C)c(=O)c2cc(C)sc21
InChIInChI=1S/C16H23N3O3S/c1-5-6-7-18-15-12(8-11(4)23-15)14(21)19(16(18)22)9-13(20)17-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,17,20)
InChIKeyGTDCYQODQSMAIW-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.86
Rot. Bonds6

About 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide

2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide (PubChem CID 141463416) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
PubChem CID141463416
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
SMILESCCCCn1c(=O)n(CC(=O)NC(C)C)c(=O)c2cc(C)sc21
InChIInChI=1S/C16H23N3O3S/c1-5-6-7-18-15-12(8-11(4)23-15)14(21)19(16(18)22)9-13(20)17-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,17,20)
InChIKeyGTDCYQODQSMAIW-UHFFFAOYSA-N
XLogP1.86
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide
CID 39334843
3-butyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 145497499
2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55480118
N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 141463465
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
2-(6-bromo-5-methyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)-N-tert-butylacetamide
CID 141463430
2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 42971291
1,3-dibenzyl-6-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39334592
2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 55480119
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762797
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide (CID 141463416) is 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide is CCCCn1c(=O)n(CC(=O)NC(C)C)c(=O)c2cc(C)sc21.
What is the InChIKey of 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is GTDCYQODQSMAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-5-6-7-18-15-12(8-11(4)23-15)14(21)19(16(18)22)9-13(20)17-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,17,20).
What are the key properties of 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide?
2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 337.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 141463416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).