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

C12H10BrN5 — CID 107801787

IUPAC2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
SMILESCc1cc(Nc2cc(Br)ccc2C#N)nc(N)n1
InChIInChI=1S/C12H10BrN5/c1-7-4-11(18-12(15)16-7)17-10-5-9(13)3-2-8(10)6-14/h2-5H,1H3,(H3,15,16,17,18)
InChIKeyCLNFABQDHVJCMR-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.74
Rot. Bonds2

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

2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile (PubChem CID 107801787) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
PubChem CID107801787
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
SMILESCc1cc(Nc2cc(Br)ccc2C#N)nc(N)n1
InChIInChI=1S/C12H10BrN5/c1-7-4-11(18-12(15)16-7)17-10-5-9(13)3-2-8(10)6-14/h2-5H,1H3,(H3,15,16,17,18)
InChIKeyCLNFABQDHVJCMR-UHFFFAOYSA-N
XLogP2.74
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
CID 114047759
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797
4-bromo-2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 107801773
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile
CID 107801715
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-5-bromobenzonitrile
CID 82698177
2-(3-amino-5-methylanilino)-4-bromobenzonitrile
CID 107797158
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 80829212
4-bromo-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107801716

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile (CID 107801787) is 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile is Cc1cc(Nc2cc(Br)ccc2C#N)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile?
The InChIKey is CLNFABQDHVJCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c1-7-4-11(18-12(15)16-7)17-10-5-9(13)3-2-8(10)6-14/h2-5H,1H3,(H3,15,16,17,18).
What are the key properties of 2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile?
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile has a molecular weight of 304.15 g/mol, XLogP of 2.74, 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-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 107801787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).