6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

C23H21N5O — CID 58321884

IUPAC6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H21N5O/c1-29-20-14-12-17(13-15-20)16-21-26-22(24-18-8-4-2-5-9-18)28-23(27-21)25-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H2,24,25,26,27,28)
InChIKeyHDIDXYRFXYMAQI-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.96
Rot. Bonds7

About 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 58321884) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID58321884
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H21N5O/c1-29-20-14-12-17(13-15-20)16-21-26-22(24-18-8-4-2-5-9-18)28-23(27-21)25-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H2,24,25,26,27,28)
InChIKeyHDIDXYRFXYMAQI-UHFFFAOYSA-N
XLogP4.96
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;6-[(4-methylphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2-N,4-N,6-N-tris(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159663695
4,6-bis[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 123556531
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71095114
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde
CID 58175836
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
1-[4-[[4,6-bis[4-(2-hydroxy-3-methoxypropoxy)anilino]-1,3,5-triazin-2-yl]methyl]phenoxy]-3-methoxypropan-2-ol
CID 58059736
[4-[[4-anilino-6-[[3-[[4-anilino-6-[(4-prop-2-enoyloxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]phenyl] prop-2-enoate
CID 159380757
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
4,6-dibenzyl-N-(2,3-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,6-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-methylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine;N-(4-methoxyphenyl)-4,6-bis[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 161217838
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 58321884) is 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is COc1ccc(Cc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HDIDXYRFXYMAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-29-20-14-12-17(13-15-20)16-21-26-22(24-18-8-4-2-5-9-18)28-23(27-21)25-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 383.46 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58321884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).