4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile

C15H10FN3OS — CID 133376876

IUPAC4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile
SMILESCCc1cc2c(Oc3ccc(C#N)cc3F)ncnc2s1
InChIInChI=1S/C15H10FN3OS/c1-2-10-6-11-14(18-8-19-15(11)21-10)20-13-4-3-9(7-17)5-12(13)16/h3-6,8H,2H2,1H3
InChIKeyLZJGZAVJLHFIKI-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.06
Rot. Bonds3

About 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile

4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile (PubChem CID 133376876) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile
PubChem CID133376876
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile
SMILESCCc1cc2c(Oc3ccc(C#N)cc3F)ncnc2s1
InChIInChI=1S/C15H10FN3OS/c1-2-10-6-11-14(18-8-19-15(11)21-10)20-13-4-3-9(7-17)5-12(13)16/h3-6,8H,2H2,1H3
InChIKeyLZJGZAVJLHFIKI-UHFFFAOYSA-N
XLogP4.06
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
CID 107670432
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664674
3-fluoro-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669781
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978
4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile
CID 107668134
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 114046415
3-fluoro-4-(2-methylbutoxy)benzonitrile
CID 103792131
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
4-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethoxy]benzonitrile
CID 35380492
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664678
1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
CID 64572973

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile?
The IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile (CID 133376876) is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile.
What is the SMILES notation for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile?
The canonical SMILES for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile is CCc1cc2c(Oc3ccc(C#N)cc3F)ncnc2s1.
What is the InChIKey of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile?
The InChIKey is LZJGZAVJLHFIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c1-2-10-6-11-14(18-8-19-15(11)21-10)20-13-4-3-9(7-17)5-12(13)16/h3-6,8H,2H2,1H3.
What are the key properties of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile?
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile has a molecular weight of 299.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile is sourced from PubChem (CID 133376876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).