ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate

C18H14N4O2S2 — CID 22597562

IUPACethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccncc3)nc(-c3ccsc3)c2c1N
InChIInChI=1S/C18H14N4O2S2/c1-2-24-18(23)15-13(19)12-14(11-5-8-25-9-11)21-16(22-17(12)26-15)10-3-6-20-7-4-10/h3-9H,2,19H2,1H3
InChIKeySDUFSUAXUBPVPW-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.24
Rot. Bonds4

About ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 22597562) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID22597562
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Nameethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccncc3)nc(-c3ccsc3)c2c1N
InChIInChI=1S/C18H14N4O2S2/c1-2-24-18(23)15-13(19)12-14(11-5-8-25-9-11)21-16(22-17(12)26-15)10-3-6-20-7-4-10/h3-9H,2,19H2,1H3
InChIKeySDUFSUAXUBPVPW-UHFFFAOYSA-N
XLogP4.24
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate (CID 22597562) is ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(-c3ccncc3)nc(-c3ccsc3)c2c1N.
What is the InChIKey of ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is SDUFSUAXUBPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-2-24-18(23)15-13(19)12-14(11-5-8-25-9-11)21-16(22-17(12)26-15)10-3-6-20-7-4-10/h3-9H,2,19H2,1H3.
What are the key properties of ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 382.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 22597562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).