ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate

C13H17N3O2S — CID 68603545

IUPACethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1ncnc2scc(C)c12
InChIInChI=1S/C13H17N3O2S/c1-4-18-10(17)5-9(3)16-12-11-8(2)6-19-13(11)15-7-14-12/h6-7,9H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyUDVZGEUEWLQURN-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.75
Rot. Bonds5

About ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate

ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate (PubChem CID 68603545) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
PubChem CID68603545
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Nameethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1ncnc2scc(C)c12
InChIInChI=1S/C13H17N3O2S/c1-4-18-10(17)5-9(3)16-12-11-8(2)6-19-13(11)15-7-14-12/h6-7,9H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyUDVZGEUEWLQURN-UHFFFAOYSA-N
XLogP2.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate with MolForge

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Related Compounds

ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
CID 133363416
4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122062465
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
ethyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)pentanoate
CID 133407095
(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 140546721
ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133404312
benzyl 6-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 23632050
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
ethyl 3-[(3-bromo-5-nitro-2-pyridinyl)amino]butanoate
CID 133363362
ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 133430418
5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 23631985
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate (CID 68603545) is ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate is CCOC(=O)CC(C)Nc1ncnc2scc(C)c12.
What is the InChIKey of ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The InChIKey is UDVZGEUEWLQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-18-10(17)5-9(3)16-12-11-8(2)6-19-13(11)15-7-14-12/h6-7,9H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate has a molecular weight of 279.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 68603545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).