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

C11H20N6 — CID 26553415

IUPAC6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H]1C[C@@H](C)CN(Cc2nc(N)nc(N)n2)C1
InChIInChI=1S/C11H20N6/c1-7-3-8(2)5-17(4-7)6-9-14-10(12)16-11(13)15-9/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15,16)/t7-,8-/m1/s1
InChIKeyFPJAAYSIYGGZMG-HTQZYQBOSA-N
MW236.32 g/mol
LogP0.51
Rot. Bonds2

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

6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 26553415) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID26553415
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H]1C[C@@H](C)CN(Cc2nc(N)nc(N)n2)C1
InChIInChI=1S/C11H20N6/c1-7-3-8(2)5-17(4-7)6-9-14-10(12)16-11(13)15-9/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15,16)/t7-,8-/m1/s1
InChIKeyFPJAAYSIYGGZMG-HTQZYQBOSA-N
XLogP0.51
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 26553415) is 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is C[C@@H]1C[C@@H](C)CN(Cc2nc(N)nc(N)n2)C1.
What is the InChIKey of 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FPJAAYSIYGGZMG-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H20N6/c1-7-3-8(2)5-17(4-7)6-9-14-10(12)16-11(13)15-9/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15,16)/t7-,8-/m1/s1.
What are the key properties of 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 26553415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).