4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine

C21H24N4 — CID 112916961

IUPAC4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2nc(C)cc(N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4/c1-4-17-10-12-19(13-11-17)23-21-22-16(2)14-20(24-21)25(3)15-18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3,(H,22,23,24)
InChIKeyYFACBJFVIRBKJF-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.73
Rot. Bonds6

About 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112916961) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112916961
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2nc(C)cc(N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4/c1-4-17-10-12-19(13-11-17)23-21-22-16(2)14-20(24-21)25(3)15-18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3,(H,22,23,24)
InChIKeyYFACBJFVIRBKJF-UHFFFAOYSA-N
XLogP4.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916973
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916963
4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112917039
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
methyl 2-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917001
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 112916961) is 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is CCc1ccc(Nc2nc(C)cc(N(C)Cc3ccccc3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is YFACBJFVIRBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-4-17-10-12-19(13-11-17)23-21-22-16(2)14-20(24-21)25(3)15-18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112916961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).