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

C11H6BrFN4O — CID 114073522

IUPAC4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ncnc(N)c2Br)cc1F
InChIInChI=1S/C11H6BrFN4O/c12-9-10(15)16-5-17-11(9)18-7-2-1-6(4-14)8(13)3-7/h1-3,5H,(H2,15,16,17)
InChIKeyMIATZIRAGUYLCY-UHFFFAOYSA-N
MW309.10 g/mol
LogP2.62
Rot. Bonds2

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

4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile (PubChem CID 114073522) has the molecular formula C11H6BrFN4O and a molecular weight of 309.10 g/mol. Its IUPAC name is 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
PubChem CID114073522
Molecular FormulaC11H6BrFN4O
Molecular Weight309.10 g/mol
Exact Mass307.97
IUPAC Name4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ncnc(N)c2Br)cc1F
InChIInChI=1S/C11H6BrFN4O/c12-9-10(15)16-5-17-11(9)18-7-2-1-6(4-14)8(13)3-7/h1-3,5H,(H2,15,16,17)
InChIKeyMIATZIRAGUYLCY-UHFFFAOYSA-N
XLogP2.62
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 102761068
5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 114073419
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103
5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 114073133
4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile
CID 104536926
5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
CID 103469739
CID 66974147
CID 66974147
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706
5-bromo-6-(2-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073540
4-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The IUPAC name of 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile (CID 114073522) is 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile.
What is the SMILES notation for 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The canonical SMILES for 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile is N#Cc1ccc(Oc2ncnc(N)c2Br)cc1F.
What is the InChIKey of 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The InChIKey is MIATZIRAGUYLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4O/c12-9-10(15)16-5-17-11(9)18-7-2-1-6(4-14)8(13)3-7/h1-3,5H,(H2,15,16,17).
What are the key properties of 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile?
4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile has a molecular weight of 309.10 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile is sourced from PubChem (CID 114073522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).