N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine

C17H16N4 — CID 14347046

IUPACN-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccncc3)n2)c1C
InChIInChI=1S/C17H16N4/c1-12-4-3-5-15(13(12)2)20-17-19-11-8-16(21-17)14-6-9-18-10-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyWKCIBLDFIYLWMM-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.90
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine

N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 14347046) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID14347046
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccncc3)n2)c1C
InChIInChI=1S/C17H16N4/c1-12-4-3-5-15(13(12)2)20-17-19-11-8-16(21-17)14-6-9-18-10-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyWKCIBLDFIYLWMM-UHFFFAOYSA-N
XLogP3.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine 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

N-(2,3-dimethylphenyl)-4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-amine
CID 66499033
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884524
2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307651
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068
3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 14347136
N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928362
4-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 11715896
2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
CID 69180348
2-[[2-(2,3-dimethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112902763
N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109311332
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine (CID 14347046) is N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccncc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is WKCIBLDFIYLWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-4-3-5-15(13(12)2)20-17-19-11-8-16(21-17)14-6-9-18-10-7-14/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 14347046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).