4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid

C12H17N5O4 — CID 1288587

IUPAC4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid
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)
InChIKeySLQFUXWZUXEQSX-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.76
Rot. Bonds3

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

4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid (PubChem CID 1288587) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid
PubChem CID1288587
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid
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)
InChIKeySLQFUXWZUXEQSX-UHFFFAOYSA-N
XLogP-0.76
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(Dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
CID 943313
4-Methylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
CID 1992041
4-Ethylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
CID 1088145
Ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 13416497
Dimethyl 6-(diethylamino)-1,3,5-triazine-2,4-dicarboxylate
CID 68124408
4-[2-Methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid
CID 68933241
[4,6-Bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium
CID 89223153
[4,6-Bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 89356532
4-(Methylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 1992040
4-(Dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 3282205
4,6-Dimorpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 4137030
2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395

Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid (CID 1288587) is 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid is O=C(O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
The InChIKey is SLQFUXWZUXEQSX-UHFFFAOYSA-N. 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).
What are the key properties of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 1288587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).