4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate

C12H16N5O4- — CID 4137030

IUPAC4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate
SMILESO=C([O-])c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17N5O4/c18-10(19)9-13-11(16-1-5-20-6-2-16)15-12(14-9)17-3-7-21-8-4-17/h1-8H2,(H,18,19)/p-1
InChIKeySLQFUXWZUXEQSX-UHFFFAOYSA-M
MW294.29 g/mol
LogP-2.09
Rot. Bonds3

About 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate

4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate (PubChem CID 4137030) has the molecular formula C12H16N5O4- and a molecular weight of 294.29 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate
PubChem CID4137030
Molecular FormulaC12H16N5O4-
Molecular Weight294.29 g/mol
Exact Mass294.12
IUPAC Name4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate
SMILESO=C([O-])c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17N5O4/c18-10(19)9-13-11(16-1-5-20-6-2-16)15-12(14-9)17-3-7-21-8-4-17/h1-8H2,(H,18,19)/p-1
InChIKeySLQFUXWZUXEQSX-UHFFFAOYSA-M
XLogP-2.09
TPSA103.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate?
The IUPAC name of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate (CID 4137030) is 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate?
The canonical SMILES for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate is O=C([O-])c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate?
The InChIKey is SLQFUXWZUXEQSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17N5O4/c18-10(19)9-13-11(16-1-5-20-6-2-16)15-12(14-9)17-3-7-21-8-4-17/h1-8H2,(H,18,19)/p-1.
What are the key properties of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate?
4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate has a molecular weight of 294.29 g/mol, XLogP of -2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 4137030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).