ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C20H26N4O3S — CID 133386677

IUPACethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NC3CCN(C(=O)C4CCCC4)C3)c2c1C
InChIInChI=1S/C20H26N4O3S/c1-3-27-20(26)16-12(2)15-17(21-11-22-18(15)28-16)23-14-8-9-24(10-14)19(25)13-6-4-5-7-13/h11,13-14H,3-10H2,1-2H3,(H,21,22,23)
InChIKeyPMIGMKQORWUFRP-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.38
Rot. Bonds5

About ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 133386677) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID133386677
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Nameethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NC3CCN(C(=O)C4CCCC4)C3)c2c1C
InChIInChI=1S/C20H26N4O3S/c1-3-27-20(26)16-12(2)15-17(21-11-22-18(15)28-16)23-14-8-9-24(10-14)19(25)13-6-4-5-7-13/h11,13-14H,3-10H2,1-2H3,(H,21,22,23)
InChIKeyPMIGMKQORWUFRP-UHFFFAOYSA-N
XLogP3.38
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 5-methyl-4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 95568515
ethyl 4-[(2,6-dimethyloxan-4-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 75438022
ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 24623774
ethyl 5-methyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2239201
ethyl 4-(cyclopentylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4963424
ethyl 4-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133399818
ethyl 4-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133376437
cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 133409423
ethyl 5-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4293981
[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366822
ethyl 5-methyl-4-[1-(oxan-4-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133366233
ethyl 2,5-dimethyl-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133330203

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 133386677) is ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(NC3CCN(C(=O)C4CCCC4)C3)c2c1C.
What is the InChIKey of ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is PMIGMKQORWUFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-27-20(26)16-12(2)15-17(21-11-22-18(15)28-16)23-14-8-9-24(10-14)19(25)13-6-4-5-7-13/h11,13-14H,3-10H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 402.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 133386677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).