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

C17H24N6 — CID 2950763

IUPAC6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC1CC(C)CN(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)
InChIKeyWWDFVTFOHIKJGN-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.68
Rot. Bonds4

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

6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 2950763) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID2950763
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC1CC(C)CN(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)
InChIKeyWWDFVTFOHIKJGN-UHFFFAOYSA-N
XLogP2.68
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 2950763) is 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CC1CC(C)CN(Cc2nc(N)nc(Nc3ccccc3)n2)C1.
What is the InChIKey of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WWDFVTFOHIKJGN-UHFFFAOYSA-N. 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).
What are the key properties of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 2.68, 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-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2950763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).