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

C24H23N5 — CID 71095114

IUPAC2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Cc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H23N5/c1-17-11-13-19(14-12-17)16-22-27-23(25-20-8-4-3-5-9-20)29-24(28-22)26-21-10-6-7-18(2)15-21/h3-15H,16H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyNMAVFSVELXAADY-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.57
Rot. Bonds6

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

2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 71095114) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID71095114
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Cc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H23N5/c1-17-11-13-19(14-12-17)16-22-27-23(25-20-8-4-3-5-9-20)29-24(28-22)26-21-10-6-7-18(2)15-21/h3-15H,16H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyNMAVFSVELXAADY-UHFFFAOYSA-N
XLogP5.57
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 58321884
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
N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090749
N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090680
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
1-[4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-1-one
CID 143609419
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 14064847
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 71095114) is 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1ccc(Cc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NMAVFSVELXAADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-17-11-13-19(14-12-17)16-22-27-23(25-20-8-4-3-5-9-20)29-24(28-22)26-21-10-6-7-18(2)15-21/h3-15H,16H2,1-2H3,(H2,25,26,27,28,29).
What are the key properties of 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 381.48 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71095114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).