4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile

C11H7Br2N5 — CID 107795143

IUPAC4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(Nc2nc(N)ncc2Br)c(Br)c1
InChIInChI=1S/C11H7Br2N5/c12-7-3-6(4-14)1-2-9(7)17-10-8(13)5-16-11(15)18-10/h1-3,5H,(H3,15,16,17,18)
InChIKeyQOIQTANVLQWPLD-UHFFFAOYSA-N
MW369.02 g/mol
LogP3.20
Rot. Bonds2

About 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile

4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile (PubChem CID 107795143) has the molecular formula C11H7Br2N5 and a molecular weight of 369.02 g/mol. Its IUPAC name is 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile.

Molecular Properties

Compound Name4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
PubChem CID107795143
Molecular FormulaC11H7Br2N5
Molecular Weight369.02 g/mol
Exact Mass366.91
IUPAC Name4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(Nc2nc(N)ncc2Br)c(Br)c1
InChIInChI=1S/C11H7Br2N5/c12-7-3-6(4-14)1-2-9(7)17-10-8(13)5-16-11(15)18-10/h1-3,5H,(H3,15,16,17,18)
InChIKeyQOIQTANVLQWPLD-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

4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787260
3-bromo-4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002302
2-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841595
3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
CID 107795514
3-bromo-4-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795234
4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile
CID 107787200
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
4-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-chlorobenzonitrile
CID 107810649
4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
CID 114002267
3-bromo-4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 107795538
5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
CID 114261712
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107639334

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile?
The IUPAC name of 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile (CID 107795143) is 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile.
What is the SMILES notation for 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile?
The canonical SMILES for 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile is N#Cc1ccc(Nc2nc(N)ncc2Br)c(Br)c1.
What is the InChIKey of 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile?
The InChIKey is QOIQTANVLQWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N5/c12-7-3-6(4-14)1-2-9(7)17-10-8(13)5-16-11(15)18-10/h1-3,5H,(H3,15,16,17,18).
What are the key properties of 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile?
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-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 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile is sourced from PubChem (CID 107795143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).