2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine

C20H23N5O2 — CID 88885125

IUPAC2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOOCc1ccccc1Nc1nc(C)nc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C20H23N5O2/c1-13-9-10-17(14(2)11-13)23-19-21-15(3)22-20(25-19)24-18-8-6-5-7-16(18)12-27-26-4/h5-11H,12H2,1-4H3,(H2,21,22,23,24,25)
InChIKeySQDUGHRQNLXVKH-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.36
Rot. Bonds7

About 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine

2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 88885125) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID88885125
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOOCc1ccccc1Nc1nc(C)nc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C20H23N5O2/c1-13-9-10-17(14(2)11-13)23-19-21-15(3)22-20(25-19)24-18-8-6-5-7-16(18)12-27-26-4/h5-11H,12H2,1-4H3,(H2,21,22,23,24,25)
InChIKeySQDUGHRQNLXVKH-UHFFFAOYSA-N
XLogP4.36
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2,4-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10520798
2-N-benzyl-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10664382
4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate
CID 161346778
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
CID 10712923
2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10617227
2-N-(2,4-dimethylphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763510
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918341
methyl 2-[[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109314723
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10501566
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-dimethylphenyl)quinazoline-2,4-diamine
CID 71690707
4-[2-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212427

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 88885125) is 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine is COOCc1ccccc1Nc1nc(C)nc(Nc2ccc(C)cc2C)n1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SQDUGHRQNLXVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-9-10-17(14(2)11-13)23-19-21-15(3)22-20(25-19)24-18-8-6-5-7-16(18)12-27-26-4/h5-11H,12H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 365.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 88885125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).