4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one

C17H16N4O3S — CID 35795709

IUPAC4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)N3CCNC(=O)C3)c(C)c12
InChIInChI=1S/C17H16N4O3S/c1-9-13-10(2)19-15(11-4-3-7-24-11)20-16(13)25-14(9)17(23)21-6-5-18-12(22)8-21/h3-4,7H,5-6,8H2,1-2H3,(H,18,22)
InChIKeyJAGRINKPXCRPMI-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.14
Rot. Bonds2

About 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one

4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one (PubChem CID 35795709) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one
PubChem CID35795709
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)N3CCNC(=O)C3)c(C)c12
InChIInChI=1S/C17H16N4O3S/c1-9-13-10(2)19-15(11-4-3-7-24-11)20-16(13)25-14(9)17(23)21-6-5-18-12(22)8-21/h3-4,7H,5-6,8H2,1-2H3,(H,18,22)
InChIKeyJAGRINKPXCRPMI-UHFFFAOYSA-N
XLogP2.14
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 18153458
N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511388
2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18157287
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide
CID 24629657
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702
2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18283714
N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628326
N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24635446
N-(2,4-dichlorophenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32690486
[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 94285993
2-(furan-2-yl)-4,5-dimethyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46482024

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one (CID 35795709) is 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one is Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCNC(=O)C3)c(C)c12.
What is the InChIKey of 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one?
The InChIKey is JAGRINKPXCRPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-9-13-10(2)19-15(11-4-3-7-24-11)20-16(13)25-14(9)17(23)21-6-5-18-12(22)8-21/h3-4,7H,5-6,8H2,1-2H3,(H,18,22).
What are the key properties of 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one?
4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one has a molecular weight of 356.41 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one is sourced from PubChem (CID 35795709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).