(2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine

C25H35N7O2 — CID 54450571

IUPAC(2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine
SMILESCc1cc2nc(C)n(-c3nc(N4C[C@@H](C)O[C@@H](C)C4)nc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2cc1C
InChIInChI=1S/C25H35N7O2/c1-14-8-21-22(9-15(14)2)32(20(7)26-21)25-28-23(30-10-16(3)33-17(4)11-30)27-24(29-25)31-12-18(5)34-19(6)13-31/h8-9,16-19H,10-13H2,1-7H3/t16-,17+,18-,19+
InChIKeyWURIHNXEAPMHDB-QGFMHUBQSA-N
MW465.60 g/mol
LogP3.36
Rot. Bonds3

About (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine (PubChem CID 54450571) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine
PubChem CID54450571
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name(2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine
SMILESCc1cc2nc(C)n(-c3nc(N4C[C@@H](C)O[C@@H](C)C4)nc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2cc1C
InChIInChI=1S/C25H35N7O2/c1-14-8-21-22(9-15(14)2)32(20(7)26-21)25-28-23(30-10-16(3)33-17(4)11-30)27-24(29-25)31-12-18(5)34-19(6)13-31/h8-9,16-19H,10-13H2,1-7H3/t16-,17+,18-,19+
InChIKeyWURIHNXEAPMHDB-QGFMHUBQSA-N
XLogP3.36
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine (CID 54450571) is (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine is Cc1cc2nc(C)n(-c3nc(N4C[C@@H](C)O[C@@H](C)C4)nc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2cc1C.
What is the InChIKey of (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine?
The InChIKey is WURIHNXEAPMHDB-QGFMHUBQSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-14-8-21-22(9-15(14)2)32(20(7)26-21)25-28-23(30-10-16(3)33-17(4)11-30)27-24(29-25)31-12-18(5)34-19(6)13-31/h8-9,16-19H,10-13H2,1-7H3/t16-,17+,18-,19+.
What are the key properties of (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine has a molecular weight of 465.60 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,5,6-trimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 54450571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).