4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine

C23H26N6 — CID 10834051

IUPAC4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(C)nc(NCCc3c[nH]c4ccccc34)n2)c(C)c1
InChIInChI=1S/C23H26N6/c1-14-11-15(2)21(16(3)12-14)28-23-27-17(4)26-22(29-23)24-10-9-18-13-25-20-8-6-5-7-19(18)20/h5-8,11-13,25H,9-10H2,1-4H3,(H2,24,26,27,28,29)
InChIKeyPULNDUWMGHPMNQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.98
Rot. Bonds6

About 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine

4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10834051) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10834051
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(C)nc(NCCc3c[nH]c4ccccc34)n2)c(C)c1
InChIInChI=1S/C23H26N6/c1-14-11-15(2)21(16(3)12-14)28-23-27-17(4)26-22(29-23)24-10-9-18-13-25-20-8-6-5-7-19(18)20/h5-8,11-13,25H,9-10H2,1-4H3,(H2,24,26,27,28,29)
InChIKeyPULNDUWMGHPMNQ-UHFFFAOYSA-N
XLogP4.98
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,6-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896703
2-N-(2,5-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896700
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112922394
3-N-(2,4-dimethylphenyl)-5-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112955753
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112896693
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112896767
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine (CID 10834051) is 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine is Cc1cc(C)c(Nc2nc(C)nc(NCCc3c[nH]c4ccccc34)n2)c(C)c1.
What is the InChIKey of 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PULNDUWMGHPMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-14-11-15(2)21(16(3)12-14)28-23-27-17(4)26-22(29-23)24-10-9-18-13-25-20-8-6-5-7-19(18)20/h5-8,11-13,25H,9-10H2,1-4H3,(H2,24,26,27,28,29).
What are the key properties of 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 386.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10834051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).