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

C12H19N5O3 — CID 934204

IUPAC4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
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)
InChIKeyJYHIPRJWQJAKKM-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.62
Rot. Bonds3

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

4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid (PubChem CID 934204) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
PubChem CID934204
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
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)
InChIKeyJYHIPRJWQJAKKM-UHFFFAOYSA-N
XLogP0.62
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid (CID 934204) is 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid 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-carboxylic acid?
The InChIKey is JYHIPRJWQJAKKM-UHFFFAOYSA-N. 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).
What are the key properties of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid?
4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 934204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).