ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C16H22N4O2S — CID 714518

IUPACethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(N3CCN(CC)CC3)c2c1C
InChIInChI=1S/C16H22N4O2S/c1-4-19-6-8-20(9-7-19)14-12-11(3)13(16(21)22-5-2)23-15(12)18-10-17-14/h10H,4-9H2,1-3H3
InChIKeyGZJTYOUUBWZRCG-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.32
Rot. Bonds4

About ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 714518) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID714518
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Nameethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(N3CCN(CC)CC3)c2c1C
InChIInChI=1S/C16H22N4O2S/c1-4-19-6-8-20(9-7-19)14-12-11(3)13(16(21)22-5-2)23-15(12)18-10-17-14/h10H,4-9H2,1-3H3
InChIKeyGZJTYOUUBWZRCG-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 714518) is ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(N3CCN(CC)CC3)c2c1C.
What is the InChIKey of ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is GZJTYOUUBWZRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-19-6-8-20(9-7-19)14-12-11(3)13(16(21)22-5-2)23-15(12)18-10-17-14/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 334.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 714518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).