2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile

C11H7BrClN5 — CID 107800073

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H7BrClN5/c12-7-2-1-6(5-14)8(3-7)16-10-4-9(13)17-11(15)18-10/h1-4H,(H3,15,16,17,18)
InChIKeyOCFQMPGSDDSHSO-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.09
Rot. Bonds2

About 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile (PubChem CID 107800073) has the molecular formula C11H7BrClN5 and a molecular weight of 324.57 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
PubChem CID107800073
Molecular FormulaC11H7BrClN5
Molecular Weight324.57 g/mol
Exact Mass322.96
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H7BrClN5/c12-7-2-1-6(5-14)8(3-7)16-10-4-9(13)17-11(15)18-10/h1-4H,(H3,15,16,17,18)
InChIKeyOCFQMPGSDDSHSO-UHFFFAOYSA-N
XLogP3.09
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801787
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile
CID 107801715
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile
CID 83073282
4-bromo-2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 107800091
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
CID 114047759
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
CID 107801678

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile (CID 107800073) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1Nc1cc(Cl)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile?
The InChIKey is OCFQMPGSDDSHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN5/c12-7-2-1-6(5-14)8(3-7)16-10-4-9(13)17-11(15)18-10/h1-4H,(H3,15,16,17,18).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile has a molecular weight of 324.57 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 107800073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).