5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide

C19H24N6O4 — CID 118728549

IUPAC5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1C(N)=O
InChIInChI=1S/C19H24N6O4/c1-27-15-3-2-13(12-14(15)16(20)26)17-21-18(24-4-8-28-9-5-24)23-19(22-17)25-6-10-29-11-7-25/h2-3,12H,4-11H2,1H3,(H2,20,26)
InChIKeyRIDWAYMLYOVUDY-UHFFFAOYSA-N
MW400.44 g/mol
LogP0.32
Rot. Bonds5

About 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide

5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide (PubChem CID 118728549) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
PubChem CID118728549
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1C(N)=O
InChIInChI=1S/C19H24N6O4/c1-27-15-3-2-13(12-14(15)16(20)26)17-21-18(24-4-8-28-9-5-24)23-19(22-17)25-6-10-29-11-7-25/h2-3,12H,4-11H2,1H3,(H2,20,26)
InChIKeyRIDWAYMLYOVUDY-UHFFFAOYSA-N
XLogP0.32
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide (CID 118728549) is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide is COc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1C(N)=O.
What is the InChIKey of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide?
The InChIKey is RIDWAYMLYOVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-27-15-3-2-13(12-14(15)16(20)26)17-21-18(24-4-8-28-9-5-24)23-19(22-17)25-6-10-29-11-7-25/h2-3,12H,4-11H2,1H3,(H2,20,26).
What are the key properties of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide?
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide has a molecular weight of 400.44 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 118728549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).