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

C23H21ClN6O — CID 143609422

IUPAC4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C23H21ClN6O/c1-15-6-3-8-17(12-15)25-21-28-22(26-18-9-4-7-16(24)13-18)30-23(29-21)27-19-10-5-11-20(14-19)31-2/h3-14H,1-2H3,(H3,25,26,27,28,29,30)
InChIKeyNNLRYUFTJAWMBO-UHFFFAOYSA-N
MW432.92 g/mol
LogP6.07
Rot. Bonds7

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

4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 143609422) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID143609422
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC Name4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C23H21ClN6O/c1-15-6-3-8-17(12-15)25-21-28-22(26-18-9-4-7-16(24)13-18)30-23(29-21)27-19-10-5-11-20(14-19)31-2/h3-14H,1-2H3,(H3,25,26,27,28,29,30)
InChIKeyNNLRYUFTJAWMBO-UHFFFAOYSA-N
XLogP6.07
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.92
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

3-[[4-[(3-Chloro-4-methoxyphenyl)methylamino]-6-(3-cyanoanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 44532610
N-(4-amino-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(3-chloro-4-methylphenyl)amine
CID 1214348
2-N,4-N,6-N-tris(3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 85989930
N~2~,N~4~-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
CID 3129773
N,3,5]triazine-2,4,6-triamine
CID 405311
6-chloro-N,N'-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 4553735
6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 134138659
2-N-(3-chlorophenyl)-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 23536503
4-(3-chloro-4-fluorophenoxy)-6-ethoxy-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040170
4-[3-(diethylamino)phenoxy]-6-ethoxy-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040346
{4,6-Bis[(3-chloro-4-fluorophenyl)amino](1,3,5-triazin-2-yl)}(4-methoxyphenyl) amine
CID 3690828
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)-4-N-(2-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 14904088

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 143609422) is 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is COc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NNLRYUFTJAWMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c1-15-6-3-8-17(12-15)25-21-28-22(26-18-9-4-7-16(24)13-18)30-23(29-21)27-19-10-5-11-20(14-19)31-2/h3-14H,1-2H3,(H3,25,26,27,28,29,30).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 432.92 g/mol, XLogP of 6.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 143609422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).