ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate

C14H19N3O2S — CID 133363399

IUPACethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1ncnc2sc(CC)cc12
InChIInChI=1S/C14H19N3O2S/c1-4-10-7-11-13(15-8-16-14(11)20-10)17-9(3)6-12(18)19-5-2/h7-9H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyFSNYVSGUVWVIAE-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.01
Rot. Bonds6

About ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate

ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate (PubChem CID 133363399) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
PubChem CID133363399
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1ncnc2sc(CC)cc12
InChIInChI=1S/C14H19N3O2S/c1-4-10-7-11-13(15-8-16-14(11)20-10)17-9(3)6-12(18)19-5-2/h7-9H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyFSNYVSGUVWVIAE-UHFFFAOYSA-N
XLogP3.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate with MolForge

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Related Compounds

methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
CID 96996419
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 65192081
ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 68603545
ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 39081674
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65027345

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate (CID 133363399) is ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate is CCOC(=O)CC(C)Nc1ncnc2sc(CC)cc12.
What is the InChIKey of ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The InChIKey is FSNYVSGUVWVIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-10-7-11-13(15-8-16-14(11)20-10)17-9(3)6-12(18)19-5-2/h7-9H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate has a molecular weight of 293.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 133363399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).