methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate

C18H22N6O4 — CID 58508119

IUPACmethyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)n1
InChIInChI=1S/C18H22N6O4/c1-26-16(25)14-4-2-3-13(19-14)15-20-17(23-5-9-27-10-6-23)22-18(21-15)24-7-11-28-12-8-24/h2-4H,5-12H2,1H3
InChIKeyIHEKYAHXDHIGNI-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.39
Rot. Bonds4

About methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate

methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate (PubChem CID 58508119) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
PubChem CID58508119
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Namemethyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)n1
InChIInChI=1S/C18H22N6O4/c1-26-16(25)14-4-2-3-13(19-14)15-20-17(23-5-9-27-10-6-23)22-18(21-15)24-7-11-28-12-8-24/h2-4H,5-12H2,1H3
InChIKeyIHEKYAHXDHIGNI-UHFFFAOYSA-N
XLogP0.39
TPSA102.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate (CID 58508119) is methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)n1.
What is the InChIKey of methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate?
The InChIKey is IHEKYAHXDHIGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-26-16(25)14-4-2-3-13(19-14)15-20-17(23-5-9-27-10-6-23)22-18(21-15)24-7-11-28-12-8-24/h2-4H,5-12H2,1H3.
What are the key properties of methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate?
methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 58508119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).