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

C23H22N6O — CID 58625602

IUPAC2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C23H22N6O/c1-16-8-6-11-18(14-16)25-22-27-21(24-17-9-4-3-5-10-17)28-23(29-22)26-19-12-7-13-20(15-19)30-2/h3-15H,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyBUAGUUGTLBPZFC-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.42
Rot. Bonds7

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

2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 58625602) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID58625602
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C23H22N6O/c1-16-8-6-11-18(14-16)25-22-27-21(24-17-9-4-3-5-10-17)28-23(29-22)26-19-12-7-13-20(15-19)30-2/h3-15H,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyBUAGUUGTLBPZFC-UHFFFAOYSA-N
XLogP5.42
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]-2-(3-methylbut-2-enoxy)benzonitrile
CID 16074550
4-[(4-Amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(3-methylbut-2-enoxy)benzonitrile
CID 16074552
[1,3,5]Triazine-2,4-diamine, 6-chloro-N-(4-methoxyphenyl)-N'-(3-trifluoromethylphenyl)-
CID 3620709
N2-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 86574122
2-N-(4-fluorophenyl)-6-(4-methylphenoxy)-1,3,5-triazine-2,4-diamine
CID 145983821
N-(3,4-dimethylphenyl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine
CID 1214345
Cambridge id 6061526
CID 2883657
1,3,5-Triazine-2,4,6-triamine, N,N',N''-tris(4-methoxyphenyl)-
CID 4913922
N2,N4,N6-tris(2-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 4997392
N-(3-Benzyloxy-phenyl)-N'-(4,6-dimethyl-pyrimidin-2-yl)-guanidine
CID 5728566
1,3,5-Triazine-2,4-diamine, 1-(3-((3-aminophenyl)methoxy)phenyl)-1,6-dihydro-6,6-dimethyl-
CID 419051
2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 44528438

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 58625602) is 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is COc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BUAGUUGTLBPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-8-6-11-18(14-16)25-22-27-21(24-17-9-4-3-5-10-17)28-23(29-22)26-19-12-7-13-20(15-19)30-2/h3-15H,1-2H3,(H3,24,25,26,27,28,29).
What are the key properties of 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 398.47 g/mol, XLogP of 5.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58625602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).