5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile

C15H16BrN5 — CID 82697948

IUPAC5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
SMILESCCNc1nc(C)nc(Nc2ccc(Br)cc2C#N)c1C
InChIInChI=1S/C15H16BrN5/c1-4-18-14-9(2)15(20-10(3)19-14)21-13-6-5-12(16)7-11(13)8-17/h5-7H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyBGULVGWRLQMXRD-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile

5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 82697948) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
PubChem CID82697948
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
SMILESCCNc1nc(C)nc(Nc2ccc(Br)cc2C#N)c1C
InChIInChI=1S/C15H16BrN5/c1-4-18-14-9(2)15(20-10(3)19-14)21-13-6-5-12(16)7-11(13)8-17/h5-7H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyBGULVGWRLQMXRD-UHFFFAOYSA-N
XLogP3.90
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile 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

5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 102759368
4-N-(2,4-dimethylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80763640
2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702336
4-bromo-2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 107801773
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80806935
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662
2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702734
2-(4-bromo-2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82695182
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-5-bromobenzonitrile
CID 82698177
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
3-bromo-4-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]benzonitrile
CID 107795355

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile (CID 82697948) is 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile is CCNc1nc(C)nc(Nc2ccc(Br)cc2C#N)c1C.
What is the InChIKey of 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is BGULVGWRLQMXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-4-18-14-9(2)15(20-10(3)19-14)21-13-6-5-12(16)7-11(13)8-17/h5-7H,4H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile?
5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 346.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 82697948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).