1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide

C13H16N4OS — CID 60507618

IUPAC1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1cc2c(N3CCC(C(N)=O)C3)ncnc2s1
InChIInChI=1S/C13H16N4OS/c1-2-9-5-10-12(15-7-16-13(10)19-9)17-4-3-8(6-17)11(14)18/h5,7-8H,2-4,6H2,1H3,(H2,14,18)
InChIKeyTUDACQDUXDRPMT-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.57
Rot. Bonds3

About 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 60507618) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID60507618
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1cc2c(N3CCC(C(N)=O)C3)ncnc2s1
InChIInChI=1S/C13H16N4OS/c1-2-9-5-10-12(15-7-16-13(10)19-9)17-4-3-8(6-17)11(14)18/h5,7-8H,2-4,6H2,1H3,(H2,14,18)
InChIKeyTUDACQDUXDRPMT-UHFFFAOYSA-N
XLogP1.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362775
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110
6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 146104926
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 60507618) is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide is CCc1cc2c(N3CCC(C(N)=O)C3)ncnc2s1.
What is the InChIKey of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is TUDACQDUXDRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-9-5-10-12(15-7-16-13(10)19-9)17-4-3-8(6-17)11(14)18/h5,7-8H,2-4,6H2,1H3,(H2,14,18).
What are the key properties of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide?
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60507618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).