2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C23H20N4O3S — CID 30377368

IUPAC2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)Nc3cccc(N4CCCC4=O)c3)c(C)c12
InChIInChI=1S/C23H20N4O3S/c1-13-19-14(2)24-21(17-8-5-11-30-17)26-23(19)31-20(13)22(29)25-15-6-3-7-16(12-15)27-10-4-9-18(27)28/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,25,29)
InChIKeyXQWRKOTVGLELFG-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.95
Rot. Bonds4

About 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 30377368) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID30377368
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)Nc3cccc(N4CCCC4=O)c3)c(C)c12
InChIInChI=1S/C23H20N4O3S/c1-13-19-14(2)24-21(17-8-5-11-30-17)26-23(19)31-20(13)22(29)25-15-6-3-7-16(12-15)27-10-4-9-18(27)28/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,25,29)
InChIKeyXQWRKOTVGLELFG-UHFFFAOYSA-N
XLogP4.95
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18283714
4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 26955897
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 112819960
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24630442
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
N-(4-fluoro-2-methylphenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24629562
N-(2,4-dichlorophenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32690486
2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18157287
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702
N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628326
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 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 30377368) is 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3cccc(N4CCCC4=O)c3)c(C)c12.
What is the InChIKey of 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XQWRKOTVGLELFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-13-19-14(2)24-21(17-8-5-11-30-17)26-23(19)31-20(13)22(29)25-15-6-3-7-16(12-15)27-10-4-9-18(27)28/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,25,29).
What are the key properties of 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 30377368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).