6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine

C21H26N6 — CID 2948439

IUPAC6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CC(C)CN(Cc2nc(N)nc(Nc3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C21H26N6/c1-14-9-15(2)12-27(11-14)13-19-24-20(22)26-21(25-19)23-18-8-7-16-5-3-4-6-17(16)10-18/h3-8,10,14-15H,9,11-13H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyMXUQNKSYQMNKLF-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.83
Rot. Bonds4

About 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine

6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 2948439) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID2948439
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CC(C)CN(Cc2nc(N)nc(Nc3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C21H26N6/c1-14-9-15(2)12-27(11-14)13-19-24-20(22)26-21(25-19)23-18-8-7-16-5-3-4-6-17(16)10-18/h3-8,10,14-15H,9,11-13H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyMXUQNKSYQMNKLF-UHFFFAOYSA-N
XLogP3.83
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
CID 932617
6-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-phenyl-1,3,5-triazine-2,4-diamine
CID 939226
2-N-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 666466
4-[(4-benzyl-1-piperazinyl)methyl]-6-(3,4-dihydro-1(2H)-quinolinyl)-1,3,5-triazin-2-amine
CID 1853629
N2-(3,4-Dimethylphenyl)-6-((4-(p-tolyl)piperazin-1-yl)methyl)-1,3,5-triazine-2,4-diamine
CID 122473367
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 666042
6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 666635
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazin-2-amine
CID 667032
N-(3-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 667134
6-[(4-benzylpiperazin-1-yl)methyl]-N-phenyl-1,3,5-triazine-2,4-diamine
CID 1833874
6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2574483
6-(3,5-Dimethyl-piperidin-1-ylmethyl)-N-phenyl-[1,3,5]triazine-2,4-diamine
CID 2950763

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine (CID 2948439) is 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine is CC1CC(C)CN(Cc2nc(N)nc(Nc3ccc4ccccc4c3)n2)C1.
What is the InChIKey of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MXUQNKSYQMNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-14-9-15(2)12-27(11-14)13-19-24-20(22)26-21(25-19)23-18-8-7-16-5-3-4-6-17(16)10-18/h3-8,10,14-15H,9,11-13H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2948439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).