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

C20H22N4O3S — CID 18157287

IUPAC2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)NCCC(=O)N3CCCC3)c(C)c12
InChIInChI=1S/C20H22N4O3S/c1-12-16-13(2)22-18(14-6-5-11-27-14)23-20(16)28-17(12)19(26)21-8-7-15(25)24-9-3-4-10-24/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,26)
InChIKeyCFVKUNCNGSWVDM-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.31
Rot. Bonds5

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

2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18157287) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID18157287
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)NCCC(=O)N3CCCC3)c(C)c12
InChIInChI=1S/C20H22N4O3S/c1-12-16-13(2)22-18(14-6-5-11-27-14)23-20(16)28-17(12)19(26)21-8-7-15(25)24-9-3-4-10-24/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,26)
InChIKeyCFVKUNCNGSWVDM-UHFFFAOYSA-N
XLogP3.31
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one
CID 35795709
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-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18283714
2-(furan-2-yl)-4,5-dimethyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46482024
N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511388
(2,6-dimethylmorpholin-4-yl)-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 18153458
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-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30377368
N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24635446
2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18162188

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 18157287) is 2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(-c2ccco2)nc2sc(C(=O)NCCC(=O)N3CCCC3)c(C)c12.
What is the InChIKey of 2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CFVKUNCNGSWVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-12-16-13(2)22-18(14-6-5-11-27-14)23-20(16)28-17(12)19(26)21-8-7-15(25)24-9-3-4-10-24/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,26).
What are the key properties of 2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.31, 5 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-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18157287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).