4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine

C22H26N4 — CID 112916963

IUPAC4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1nc(C)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-5-19-13-9-10-16(2)21(19)25-22-23-17(3)14-20(24-22)26(4)15-18-11-7-6-8-12-18/h6-14H,5,15H2,1-4H3,(H,23,24,25)
InChIKeyZXSAMAOFMJAMGO-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.04
Rot. Bonds6

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

4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112916963) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112916963
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1nc(C)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-5-19-13-9-10-16(2)21(19)25-22-23-17(3)14-20(24-22)26(4)15-18-11-7-6-8-12-18/h6-14H,5,15H2,1-4H3,(H,23,24,25)
InChIKeyZXSAMAOFMJAMGO-UHFFFAOYSA-N
XLogP5.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916961
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
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-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112917039
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
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906911
5-N-benzyl-3-N-(2-ethylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949278
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919784
N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305170

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 112916963) is 4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is CCc1cccc(C)c1Nc1nc(C)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is ZXSAMAOFMJAMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-5-19-13-9-10-16(2)21(19)25-22-23-17(3)14-20(24-22)26(4)15-18-11-7-6-8-12-18/h6-14H,5,15H2,1-4H3,(H,23,24,25).
What are the key properties of 4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 5.04, 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-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112916963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).