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

C12H15N3O2S — CID 63616724

IUPACethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ncnc2sc(C)cc12
InChIInChI=1S/C12H15N3O2S/c1-4-17-12(16)8(3)15-10-9-5-7(2)18-11(9)14-6-13-10/h5-6,8H,4H2,1-3H3,(H,13,14,15)
InChIKeyHITABUUTGYLBSS-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.36
Rot. Bonds4

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

ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 63616724) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
PubChem CID63616724
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Nameethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ncnc2sc(C)cc12
InChIInChI=1S/C12H15N3O2S/c1-4-17-12(16)8(3)15-10-9-5-7(2)18-11(9)14-6-13-10/h5-6,8H,4H2,1-3H3,(H,13,14,15)
InChIKeyHITABUUTGYLBSS-UHFFFAOYSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (CID 63616724) is ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is CCOC(=O)C(C)Nc1ncnc2sc(C)cc12.
What is the InChIKey of ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is HITABUUTGYLBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-17-12(16)8(3)15-10-9-5-7(2)18-11(9)14-6-13-10/h5-6,8H,4H2,1-3H3,(H,13,14,15).
What are the key properties of ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 265.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 63616724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).