2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

C23H22N6 — CID 59798777

IUPAC2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C23H22N6/c1-16-9-8-13-19(15-16)25-22-27-21(24-18-11-4-3-5-12-18)28-23(29-22)26-20-14-7-6-10-17(20)2/h3-15H,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyQGERPQAPJHGSST-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.72
Rot. Bonds6

About 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 59798777) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID59798777
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C23H22N6/c1-16-9-8-13-19(15-16)25-22-27-21(24-18-11-4-3-5-12-18)28-23(29-22)26-20-14-7-6-10-17(20)2/h3-15H,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyQGERPQAPJHGSST-UHFFFAOYSA-N
XLogP5.72
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis(3-chlorophenyl)-6-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 162030855
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71095114
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
CID 91194048
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301
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-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 59798777) is 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1.
What is the InChIKey of 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QGERPQAPJHGSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-16-9-8-13-19(15-16)25-22-27-21(24-18-11-4-3-5-12-18)28-23(29-22)26-20-14-7-6-10-17(20)2/h3-15H,1-2H3,(H3,24,25,26,27,28,29).
What are the key properties of 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 382.47 g/mol, XLogP of 5.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59798777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).