2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid

C14H17N3O3S — CID 102658055

IUPAC2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCc1cc2c(N3CC(C)(OCC(=O)O)C3)ncnc2s1
InChIInChI=1S/C14H17N3O3S/c1-3-9-4-10-12(15-8-16-13(10)21-9)17-6-14(2,7-17)20-5-11(18)19/h4,8H,3,5-7H2,1-2H3,(H,18,19)
InChIKeyUTXGQTKWOGGFDX-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.93
Rot. Bonds5

About 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658055) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658055
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCc1cc2c(N3CC(C)(OCC(=O)O)C3)ncnc2s1
InChIInChI=1S/C14H17N3O3S/c1-3-9-4-10-12(15-8-16-13(10)21-9)17-6-14(2,7-17)20-5-11(18)19/h4,8H,3,5-7H2,1-2H3,(H,18,19)
InChIKeyUTXGQTKWOGGFDX-UHFFFAOYSA-N
XLogP1.93
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658086
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 39073089
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
[6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-[(6S)-5-methyl-5-azaspiro[2.4]heptan-6-yl]methanone;sulfane
CID 158562608
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782229
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2,2,3,3,3-pentafluoropropan-1-one
CID 21062625
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102658055) is 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid is CCc1cc2c(N3CC(C)(OCC(=O)O)C3)ncnc2s1.
What is the InChIKey of 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is UTXGQTKWOGGFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-9-4-10-12(15-8-16-13(10)21-9)17-6-14(2,7-17)20-5-11(18)19/h4,8H,3,5-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 307.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).