4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate

C12H18N5O3- — CID 3679716

IUPAC4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
SMILESCC(C)(C)Nc1nc(C(=O)[O-])nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N5O3/c1-12(2,3)16-10-13-8(9(18)19)14-11(15-10)17-4-6-20-7-5-17/h4-7H2,1-3H3,(H,18,19)(H,13,14,15,16)/p-1
InChIKeyJYHIPRJWQJAKKM-UHFFFAOYSA-M
MW280.31 g/mol
LogP-0.72
Rot. Bonds3

About 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate

4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate (PubChem CID 3679716) has the molecular formula C12H18N5O3- and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Name4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
PubChem CID3679716
Molecular FormulaC12H18N5O3-
Molecular Weight280.31 g/mol
Exact Mass280.14
IUPAC Name4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
SMILESCC(C)(C)Nc1nc(C(=O)[O-])nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N5O3/c1-12(2,3)16-10-13-8(9(18)19)14-11(15-10)17-4-6-20-7-5-17/h4-7H2,1-3H3,(H,18,19)(H,13,14,15,16)/p-1
InChIKeyJYHIPRJWQJAKKM-UHFFFAOYSA-M
XLogP-0.72
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
CID 943313
4-(Tert-butylamino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxamide
CID 665366
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
Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, acetate (ester)
CID 3080158
Ethyl 4-methyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxylate
CID 76331065
Bas 07119533
CID 934204
Ethyl 4-(butylamino)-6-methyl-1,3,5-triazine-2-carboxylate
CID 76316487
Ethyl 4-methyl-6-(propylamino)-1,3,5-triazine-2-carboxylate
CID 76320173
Ethyl 4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxylate
CID 76331064
Ethyl 4-(butan-2-ylamino)-6-methyl-1,3,5-triazine-2-carboxylate
CID 76334647

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The IUPAC name of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate (CID 3679716) is 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The canonical SMILES for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate is CC(C)(C)Nc1nc(C(=O)[O-])nc(N2CCOCC2)n1.
What is the InChIKey of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The InChIKey is JYHIPRJWQJAKKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19N5O3/c1-12(2,3)16-10-13-8(9(18)19)14-11(15-10)17-4-6-20-7-5-17/h4-7H2,1-3H3,(H,18,19)(H,13,14,15,16)/p-1.
What are the key properties of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate has a molecular weight of 280.31 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 3679716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).