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

C11H7Br2N5 — CID 107801678

IUPAC2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1nc(N)cc(Br)n1
InChIInChI=1S/C11H7Br2N5/c12-7-2-1-6(5-14)8(3-7)16-11-17-9(13)4-10(15)18-11/h1-4H,(H3,15,16,17,18)
InChIKeyDVOYCMLFIHLYGW-UHFFFAOYSA-N
MW369.02 g/mol
LogP3.20
Rot. Bonds2

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

2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile (PubChem CID 107801678) has the molecular formula C11H7Br2N5 and a molecular weight of 369.02 g/mol. Its IUPAC name is 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
PubChem CID107801678
Molecular FormulaC11H7Br2N5
Molecular Weight369.02 g/mol
Exact Mass366.91
IUPAC Name2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1nc(N)cc(Br)n1
InChIInChI=1S/C11H7Br2N5/c12-7-2-1-6(5-14)8(3-7)16-11-17-9(13)4-10(15)18-11/h1-4H,(H3,15,16,17,18)
InChIKeyDVOYCMLFIHLYGW-UHFFFAOYSA-N
XLogP3.20
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.02
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile
CID 107801715
4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797
2-(3-amino-5-methylanilino)-4-bromobenzonitrile
CID 107797158
2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
CID 107801738
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801787
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073
4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002825
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
CID 114002435
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile
CID 107801734

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile (CID 107801678) is 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1Nc1nc(N)cc(Br)n1.
What is the InChIKey of 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile?
The InChIKey is DVOYCMLFIHLYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N5/c12-7-2-1-6(5-14)8(3-7)16-11-17-9(13)4-10(15)18-11/h1-4H,(H3,15,16,17,18).
What are the key properties of 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile?
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile has a molecular weight of 369.02 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 107801678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).