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

C14H19N3O2S — CID 133404312

IUPACethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)nc2sccc12
InChIInChI=1S/C14H19N3O2S/c1-4-11-16-13(10-6-7-20-14(10)17-11)15-9(3)8-12(18)19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyMQYKHMWDWXRUBX-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.01
Rot. Bonds6

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

ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate (PubChem CID 133404312) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
PubChem CID133404312
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)nc2sccc12
InChIInChI=1S/C14H19N3O2S/c1-4-11-16-13(10-6-7-20-14(10)17-11)15-9(3)8-12(18)19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyMQYKHMWDWXRUBX-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-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate with MolForge

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Related Compounds

(2S)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050114
N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404236
3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 133405482
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
CID 133404351
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 133430418
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide
CID 133403805
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133404654

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate (CID 133404312) is ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate is CCOC(=O)CC(C)Nc1nc(CC)nc2sccc12.
What is the InChIKey of ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The InChIKey is MQYKHMWDWXRUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-11-16-13(10-6-7-20-14(10)17-11)15-9(3)8-12(18)19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
ethyl 3-[(2-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-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 133404312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).