4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C13H19N7 — CID 80826985

IUPAC4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1CCN(c2nc(N)nc(-n3ccnc3)n2)C(C)C1
InChIInChI=1S/C13H19N7/c1-9-3-5-20(10(2)7-9)13-17-11(14)16-12(18-13)19-6-4-15-8-19/h4,6,8-10H,3,5,7H2,1-2H3,(H2,14,16,17,18)
InChIKeyXQEFITSZRFSUDU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds2

About 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80826985) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80826985
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1CCN(c2nc(N)nc(-n3ccnc3)n2)C(C)C1
InChIInChI=1S/C13H19N7/c1-9-3-5-20(10(2)7-9)13-17-11(14)16-12(18-13)19-6-4-15-8-19/h4,6,8-10H,3,5,7H2,1-2H3,(H2,14,16,17,18)
InChIKeyXQEFITSZRFSUDU-UHFFFAOYSA-N
XLogP1.26
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80826985) is 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is CC1CCN(c2nc(N)nc(-n3ccnc3)n2)C(C)C1.
What is the InChIKey of 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is XQEFITSZRFSUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-9-3-5-20(10(2)7-9)13-17-11(14)16-12(18-13)19-6-4-15-8-19/h4,6,8-10H,3,5,7H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80826985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).