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

C17H25N6+ — CID 5082356

IUPAC6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC1CC(C)C[NH+](Cc2nc(N)nc(Nc3ccccc3)n2)C1
InChIInChI=1S/C17H24N6/c1-12-8-13(2)10-23(9-12)11-15-20-16(18)22-17(21-15)19-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,18,19,20,21,22)/p+1
InChIKeyWWDFVTFOHIKJGN-UHFFFAOYSA-O
MW313.43 g/mol
LogP1.26
Rot. Bonds4

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

6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 5082356) has the molecular formula C17H25N6+ and a molecular weight of 313.43 g/mol. Its IUPAC name is 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID5082356
Molecular FormulaC17H25N6+
Molecular Weight313.43 g/mol
Exact Mass313.21
IUPAC Name6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC1CC(C)C[NH+](Cc2nc(N)nc(Nc3ccccc3)n2)C1
InChIInChI=1S/C17H24N6/c1-12-8-13(2)10-23(9-12)11-15-20-16(18)22-17(21-15)19-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,18,19,20,21,22)/p+1
InChIKeyWWDFVTFOHIKJGN-UHFFFAOYSA-O
XLogP1.26
TPSA81.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 5188113
6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8686821
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
2-N-(3-methylphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 6987526
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 2952184
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 7230327
(3aS,7aS)-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9298788
6-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238118
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 60594077
6-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238115

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 5082356) is 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CC1CC(C)C[NH+](Cc2nc(N)nc(Nc3ccccc3)n2)C1.
What is the InChIKey of 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WWDFVTFOHIKJGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N6/c1-12-8-13(2)10-23(9-12)11-15-20-16(18)22-17(21-15)19-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,18,19,20,21,22)/p+1.
What are the key properties of 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 313.43 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5082356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).