2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide

C18H19N3O3S — CID 6619340

IUPAC2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21
InChIInChI=1S/C18H19N3O3S/c1-3-19(4-2)15(22)12-20-14-10-11-25-16(14)17(23)21(18(20)24)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyQPNWINWQBAVTFE-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.08
Rot. Bonds5

About 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide

2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide (PubChem CID 6619340) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide
PubChem CID6619340
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21
InChIInChI=1S/C18H19N3O3S/c1-3-19(4-2)15(22)12-20-14-10-11-25-16(14)17(23)21(18(20)24)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyQPNWINWQBAVTFE-UHFFFAOYSA-N
XLogP2.08
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-Cyclopentyl-2-{3-ethyl-2,4-dioxothieno[3,2-D]pyrimidin-1-YL}acetamide
CID 6486186
3-(3-Methoxy-propyl)-1-(2-methyl-benzyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 6486348
3-(3-Methoxy-propyl)-1-(3-methyl-benzyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 6486354
3-(3-Methoxypropyl)-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 6486361
5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide
CID 16195422
6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004607
6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004821
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
CID 3362111
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 1478348
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 3237000
3-Butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 3239592
N-cycloheptyl-2-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)acetamide
CID 3239877

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide (CID 6619340) is 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21.
What is the InChIKey of 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide?
The InChIKey is QPNWINWQBAVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-19(4-2)15(22)12-20-14-10-11-25-16(14)17(23)21(18(20)24)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide?
2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide has a molecular weight of 357.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 6619340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).