2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile

C10H6BrClN6 — CID 107801715

IUPAC2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C10H6BrClN6/c11-6-2-1-5(4-13)7(3-6)15-10-17-8(12)16-9(14)18-10/h1-3H,(H3,14,15,16,17,18)
InChIKeyMRTYHNUDLGKSJU-UHFFFAOYSA-N
MW325.56 g/mol
LogP2.48
Rot. Bonds2

About 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile (PubChem CID 107801715) has the molecular formula C10H6BrClN6 and a molecular weight of 325.56 g/mol. Its IUPAC name is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile
PubChem CID107801715
Molecular FormulaC10H6BrClN6
Molecular Weight325.56 g/mol
Exact Mass323.95
IUPAC Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C10H6BrClN6/c11-6-2-1-5(4-13)7(3-6)15-10-17-8(12)16-9(14)18-10/h1-3H,(H3,14,15,16,17,18)
InChIKeyMRTYHNUDLGKSJU-UHFFFAOYSA-N
XLogP2.48
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.56
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
CID 107801678
4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801787
5-bromo-2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 82703983
5-bromo-2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]benzonitrile
CID 82703911
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-5-bromobenzonitrile
CID 82713039
4-bromo-2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 107800091

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile (CID 107801715) is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile?
The InChIKey is MRTYHNUDLGKSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN6/c11-6-2-1-5(4-13)7(3-6)15-10-17-8(12)16-9(14)18-10/h1-3H,(H3,14,15,16,17,18).
What are the key properties of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile?
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile has a molecular weight of 325.56 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 107801715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).