2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile

C14H11N3OS2 — CID 39159312

IUPAC2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
SMILESCCc1sc2ncn(CC#N)c(=O)c2c1-c1cccs1
InChIInChI=1S/C14H11N3OS2/c1-2-9-11(10-4-3-7-19-10)12-13(20-9)16-8-17(6-5-15)14(12)18/h3-4,7-8H,2,6H2,1H3
InChIKeyCGYAXFKIZWYDHF-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.27
Rot. Bonds3

About 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile

2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile (PubChem CID 39159312) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
PubChem CID39159312
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC Name2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
SMILESCCc1sc2ncn(CC#N)c(=O)c2c1-c1cccs1
InChIInChI=1S/C14H11N3OS2/c1-2-9-11(10-4-3-7-19-10)12-13(20-9)16-8-17(6-5-15)14(12)18/h3-4,7-8H,2,6H2,1H3
InChIKeyCGYAXFKIZWYDHF-UHFFFAOYSA-N
XLogP3.27
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-methoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 39159315
3-benzyl-5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 23411006
5-(4-bromophenyl)-6-ethyl-3-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidin-4-one
CID 23411731
2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N,N-diethylacetamide
CID 23410605
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 138042506
3-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanenitrile
CID 39159035
3-(16-oxo-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13-hexaen-15-yl)propanenitrile
CID 39159324
2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile
CID 7731798
N'-acetyl-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetohydrazide
CID 23410252
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
5-(4-bromophenyl)-6-ethyl-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 23411459
3-[5-(4-chloro-3-methylphenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28900858

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The IUPAC name of 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile (CID 39159312) is 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The canonical SMILES for 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile is CCc1sc2ncn(CC#N)c(=O)c2c1-c1cccs1.
What is the InChIKey of 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The InChIKey is CGYAXFKIZWYDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c1-2-9-11(10-4-3-7-19-10)12-13(20-9)16-8-17(6-5-15)14(12)18/h3-4,7-8H,2,6H2,1H3.
What are the key properties of 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile has a molecular weight of 301.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile is sourced from PubChem (CID 39159312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).