4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid

C10H15N5O3 — CID 943313

IUPAC4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)nc(N2CCOCC2)n1
InChIInChI=1S/C10H15N5O3/c1-14(2)9-11-7(8(16)17)12-10(13-9)15-3-5-18-6-4-15/h3-6H2,1-2H3,(H,16,17)
InChIKeyBGJCOWNPLPHIOI-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.53
Rot. Bonds3

About 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid

4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid (PubChem CID 943313) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
PubChem CID943313
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)nc(N2CCOCC2)n1
InChIInChI=1S/C10H15N5O3/c1-14(2)9-11-7(8(16)17)12-10(13-9)15-3-5-18-6-4-15/h3-6H2,1-2H3,(H,16,17)
InChIKeyBGJCOWNPLPHIOI-UHFFFAOYSA-N
XLogP-0.53
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6-Triethyl 1,3,5-triazine-2,4,6-tricarboxylate
CID 13478
2-Hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate
CID 662956
4-Methylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
CID 1992041
Ethyl 2-[(4-cyano-6-morpholino-1,3,5-triazin-2-yl)amino]acetate
CID 712287
4-Ethylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
CID 1088145
4,6-Di-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
CID 1288587
Ethyl 2-[cyano-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]acetate
CID 1587470
Bas 07119533
CID 934204
Ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 13416497
4-(Morpholin-4-yl)-6-(2,2,2-trifluoroacetamido)-1,3,5-triazine-2-carboxylic acid
CID 165925026
4,6-Bis(diethylamino)-1,3,5-triazine-2-carboxylic acid
CID 606733
Ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate
CID 19778897

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid (CID 943313) is 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid is CN(C)c1nc(C(=O)O)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
The InChIKey is BGJCOWNPLPHIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-14(2)9-11-7(8(16)17)12-10(13-9)15-3-5-18-6-4-15/h3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 943313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).