ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate

C17H17N3O2S — CID 47081244

IUPACethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3O2S/c1-2-22-15(21)8-9-18-16-13-10-14(12-6-4-3-5-7-12)23-17(13)20-11-19-16/h3-7,10-11H,2,8-9H2,1H3,(H,18,19,20)
InChIKeyYGJWIFFYNQFFNC-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.72
Rot. Bonds6

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

ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 47081244) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
PubChem CID47081244
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Nameethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3O2S/c1-2-22-15(21)8-9-18-16-13-10-14(12-6-4-3-5-7-12)23-17(13)20-11-19-16/h3-7,10-11H,2,8-9H2,1H3,(H,18,19,20)
InChIKeyYGJWIFFYNQFFNC-UHFFFAOYSA-N
XLogP3.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate
CID 39082118
N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085150
2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133367589
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 4843023
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 133296139
2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
CID 9267128
N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39082204
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 28840002
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (CID 47081244) is ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is CCOC(=O)CCNc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is YGJWIFFYNQFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-22-15(21)8-9-18-16-13-10-14(12-6-4-3-5-7-12)23-17(13)20-11-19-16/h3-7,10-11H,2,8-9H2,1H3,(H,18,19,20).
What are the key properties of ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 327.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 47081244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).