N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine

C18H18N4 — CID 46907134

IUPACN-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine
SMILESCc1ccc(Nc2nc(C)cc(-c3cccnc3)n2)c(C)c1
InChIInChI=1S/C18H18N4/c1-12-6-7-16(13(2)9-12)21-18-20-14(3)10-17(22-18)15-5-4-8-19-11-15/h4-11H,1-3H3,(H,20,21,22)
InChIKeyHPHZFXZNUMSNPB-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.21
Rot. Bonds3

About N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine

N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine (PubChem CID 46907134) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine
PubChem CID46907134
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine
SMILESCc1ccc(Nc2nc(C)cc(-c3cccnc3)n2)c(C)c1
InChIInChI=1S/C18H18N4/c1-12-6-7-16(13(2)9-12)21-18-20-14(3)10-17(22-18)15-5-4-8-19-11-15/h4-11H,1-3H3,(H,20,21,22)
InChIKeyHPHZFXZNUMSNPB-UHFFFAOYSA-N
XLogP4.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-dimethylphenyl)-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937247
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
CID 116895387
2-N-(4-bromo-2-methylphenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919532
7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine
CID 134809054
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919930
4-fluoro-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190729
4-N-(2,4-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938152
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083
2-(2-bromophenoxy)-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190661
N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
CID 46224438
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335656

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine (CID 46907134) is N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine is Cc1ccc(Nc2nc(C)cc(-c3cccnc3)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is HPHZFXZNUMSNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-12-6-7-16(13(2)9-12)21-18-20-14(3)10-17(22-18)15-5-4-8-19-11-15/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine?
N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 46907134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).