5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile

C14H14N4 — CID 107927329

IUPAC5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
SMILESCc1ccc(NCc2ccnc(C)n2)c(C#N)c1
InChIInChI=1S/C14H14N4/c1-10-3-4-14(12(7-10)8-15)17-9-13-5-6-16-11(2)18-13/h3-7,17H,9H2,1-2H3
InChIKeyCHYHJTHQVYNWRP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds3

About 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile

5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile (PubChem CID 107927329) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
PubChem CID107927329
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
SMILESCc1ccc(NCc2ccnc(C)n2)c(C#N)c1
InChIInChI=1S/C14H14N4/c1-10-3-4-14(12(7-10)8-15)17-9-13-5-6-16-11(2)18-13/h3-7,17H,9H2,1-2H3
InChIKeyCHYHJTHQVYNWRP-UHFFFAOYSA-N
XLogP2.58
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]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

2-[(2-methylpyrimidin-4-yl)methylamino]-5-nitrobenzonitrile
CID 47283353
3-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
CID 107106754
3-[(2-methylpyrimidin-4-yl)methylamino]-4-nitrobenzonitrile
CID 104713508
4-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzenecarbothioamide
CID 62302615
methyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62747332
5-methyl-2-(1H-1,2,4-triazol-5-ylmethylamino)benzonitrile
CID 107931259
5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
CID 107927097
2-[(4-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107926880
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 79375794
2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968727
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747144

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile?
The IUPAC name of 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile (CID 107927329) is 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile.
What is the SMILES notation for 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile?
The canonical SMILES for 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile is Cc1ccc(NCc2ccnc(C)n2)c(C#N)c1.
What is the InChIKey of 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile?
The InChIKey is CHYHJTHQVYNWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-3-4-14(12(7-10)8-15)17-9-13-5-6-16-11(2)18-13/h3-7,17H,9H2,1-2H3.
What are the key properties of 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile?
5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile is sourced from PubChem (CID 107927329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).