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

C23H20N4O3S — CID 18283714

IUPAC2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccccc3N3CCCC3=O)c(C)c12
InChIInChI=1S/C23H20N4O3S/c1-13-19-14(2)24-21(17-9-6-12-30-17)26-23(19)31-20(13)22(29)25-15-7-3-4-8-16(15)27-11-5-10-18(27)28/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,25,29)
InChIKeyUFLPUNDBFFTXQN-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.95
Rot. Bonds4

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

2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18283714) 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-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID18283714
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccccc3N3CCCC3=O)c(C)c12
InChIInChI=1S/C23H20N4O3S/c1-13-19-14(2)24-21(17-9-6-12-30-17)26-23(19)31-20(13)22(29)25-15-7-3-4-8-16(15)27-11-5-10-18(27)28/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,25,29)
InChIKeyUFLPUNDBFFTXQN-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

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Related Compounds

2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30377368
N-(4-fluoro-2-methylphenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24629562
2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18230491
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
N-(2,4-dichlorophenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32690486
N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 35915273
2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18157287
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 51237736
2-(furan-2-yl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30386888
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30386272
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 18283714) is 2-(furan-2-yl)-4,5-dimethyl-N-[2-(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-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccccc3N3CCCC3=O)c(C)c12.
What is the InChIKey of 2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UFLPUNDBFFTXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-13-19-14(2)24-21(17-9-6-12-30-17)26-23(19)31-20(13)22(29)25-15-7-3-4-8-16(15)27-11-5-10-18(27)28/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,25,29).
What are the key properties of 2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-(furan-2-yl)-4,5-dimethyl-N-[2-(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-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18283714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).