2-[(5-bromopyrimidin-2-yl)amino]benzonitrile

C11H7BrN4 — CID 63874554

IUPAC2-[(5-bromopyrimidin-2-yl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1ncc(Br)cn1
InChIInChI=1S/C11H7BrN4/c12-9-6-14-11(15-7-9)16-10-4-2-1-3-8(10)5-13/h1-4,6-7H,(H,14,15,16)
InChIKeyWGYKDJBNFIOFRN-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.85
Rot. Bonds2

About 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile

2-[(5-bromopyrimidin-2-yl)amino]benzonitrile (PubChem CID 63874554) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)amino]benzonitrile
PubChem CID63874554
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name2-[(5-bromopyrimidin-2-yl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1ncc(Br)cn1
InChIInChI=1S/C11H7BrN4/c12-9-6-14-11(15-7-9)16-10-4-2-1-3-8(10)5-13/h1-4,6-7H,(H,14,15,16)
InChIKeyWGYKDJBNFIOFRN-UHFFFAOYSA-N
XLogP2.85
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109262949
2-(2-bromoanilino)benzonitrile
CID 28602037
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide
CID 108826840
5-bromo-N-naphthalen-1-ylpyrimidin-2-amine
CID 63874030
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
2-(2-cyanoanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251843
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
2-(2-fluoroanilino)pyrimidine-5-carbonitrile
CID 115028622
5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
2-(1H-imidazol-2-ylamino)benzonitrile
CID 83696844
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile (CID 63874554) is 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile is N#Cc1ccccc1Nc1ncc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile?
The InChIKey is WGYKDJBNFIOFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-9-6-14-11(15-7-9)16-10-4-2-1-3-8(10)5-13/h1-4,6-7H,(H,14,15,16).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile?
2-[(5-bromopyrimidin-2-yl)amino]benzonitrile has a molecular weight of 275.11 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)amino]benzonitrile is sourced from PubChem (CID 63874554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).