2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide

C16H17N3O3S — CID 17442147

IUPAC2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide
SMILESCc1sc2ncn(CC(=O)NCCc3ccco3)c(=O)c2c1C
InChIInChI=1S/C16H17N3O3S/c1-10-11(2)23-15-14(10)16(21)19(9-18-15)8-13(20)17-6-5-12-4-3-7-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)
InChIKeySASWRBDFCZVVQF-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.03
Rot. Bonds5

About 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide (PubChem CID 17442147) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide
PubChem CID17442147
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide
SMILESCc1sc2ncn(CC(=O)NCCc3ccco3)c(=O)c2c1C
InChIInChI=1S/C16H17N3O3S/c1-10-11(2)23-15-14(10)16(21)19(9-18-15)8-13(20)17-6-5-12-4-3-7-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)
InChIKeySASWRBDFCZVVQF-UHFFFAOYSA-N
XLogP2.03
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39161648
3-[2-(furan-2-ylmethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 62564089
N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7518792
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7905077
methyl 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate
CID 3358713
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9370444
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8576831
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193253
[2-oxo-2-(propylamino)ethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7905002
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
N-(furan-2-ylmethyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410275
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 6926063

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide (CID 17442147) is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide is Cc1sc2ncn(CC(=O)NCCc3ccco3)c(=O)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
The InChIKey is SASWRBDFCZVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-11(2)23-15-14(10)16(21)19(9-18-15)8-13(20)17-6-5-12-4-3-7-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20).
What are the key properties of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 17442147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).