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

C23H26N8 — CID 146152372

IUPAC6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN2CCN(c3cccc4[nH]ccc34)CC2)n1
InChIInChI=1S/C23H26N8/c1-16-5-2-3-6-18(16)26-23-28-21(27-22(24)29-23)15-30-11-13-31(14-12-30)20-8-4-7-19-17(20)9-10-25-19/h2-10,25H,11-15H2,1H3,(H3,24,26,27,28,29)
InChIKeyXTMRZHMWJOSSDQ-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.31
Rot. Bonds5

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

6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 146152372) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID146152372
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN2CCN(c3cccc4[nH]ccc34)CC2)n1
InChIInChI=1S/C23H26N8/c1-16-5-2-3-6-18(16)26-23-28-21(27-22(24)29-23)15-30-11-13-31(14-12-30)20-8-4-7-19-17(20)9-10-25-19/h2-10,25H,11-15H2,1H3,(H3,24,26,27,28,29)
InChIKeyXTMRZHMWJOSSDQ-UHFFFAOYSA-N
XLogP3.31
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 146152372) is 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(CN2CCN(c3cccc4[nH]ccc34)CC2)n1.
What is the InChIKey of 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XTMRZHMWJOSSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-16-5-2-3-6-18(16)26-23-28-21(27-22(24)29-23)15-30-11-13-31(14-12-30)20-8-4-7-19-17(20)9-10-25-19/h2-10,25H,11-15H2,1H3,(H3,24,26,27,28,29).
What are the key properties of 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 414.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 146152372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).