2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile

C13H11FN4O — CID 80875483

IUPAC2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
SMILESCCc1c(N)ncnc1Oc1cccc(F)c1C#N
InChIInChI=1S/C13H11FN4O/c1-2-8-12(16)17-7-18-13(8)19-11-5-3-4-10(14)9(11)6-15/h3-5,7H,2H2,1H3,(H2,16,17,18)
InChIKeyINIONEAXNXHUPH-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.42
Rot. Bonds3

About 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile

2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile (PubChem CID 80875483) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
PubChem CID80875483
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
SMILESCCc1c(N)ncnc1Oc1cccc(F)c1C#N
InChIInChI=1S/C13H11FN4O/c1-2-8-12(16)17-7-18-13(8)19-11-5-3-4-10(14)9(11)6-15/h3-5,7H,2H2,1H3,(H2,16,17,18)
InChIKeyINIONEAXNXHUPH-UHFFFAOYSA-N
XLogP2.42
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80875391
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
CID 80873989
2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80920318
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61229937
2-fluoro-6-(2-methylbutan-2-yloxy)benzonitrile
CID 79513130
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
2-(2-amino-6-methylphenoxy)-6-fluorobenzonitrile
CID 113333829
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorobenzonitrile
CID 62859550
2-[2-amino-6-(methylamino)pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80874760
2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 133405453

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The IUPAC name of 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile (CID 80875483) is 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile is CCc1c(N)ncnc1Oc1cccc(F)c1C#N.
What is the InChIKey of 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The InChIKey is INIONEAXNXHUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-2-8-12(16)17-7-18-13(8)19-11-5-3-4-10(14)9(11)6-15/h3-5,7H,2H2,1H3,(H2,16,17,18).
What are the key properties of 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile?
2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile has a molecular weight of 258.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile is sourced from PubChem (CID 80875483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).