2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid

C18H22N6O4 — CID 1288339

IUPAC2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22N6O4/c25-15(26)13-3-1-2-4-14(13)19-16-20-17(23-5-9-27-10-6-23)22-18(21-16)24-7-11-28-12-8-24/h1-4H,5-12H2,(H,25,26)(H,19,20,21,22)
InChIKeyYKIUYVUWRMIMSF-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.99
Rot. Bonds5

About 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid (PubChem CID 1288339) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
PubChem CID1288339
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22N6O4/c25-15(26)13-3-1-2-4-14(13)19-16-20-17(23-5-9-27-10-6-23)22-18(21-16)24-7-11-28-12-8-24/h1-4H,5-12H2,(H,25,26)(H,19,20,21,22)
InChIKeyYKIUYVUWRMIMSF-UHFFFAOYSA-N
XLogP0.99
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid with MolForge

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Related Compounds

ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 44899506
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 698340
N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589315
2-N,4-N-bis(2-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955718
2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 4767473
2-N,4-N-bis(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955710
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine
CID 118467402
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid (CID 1288339) is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The canonical SMILES for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid is O=C(O)c1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The InChIKey is YKIUYVUWRMIMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c25-15(26)13-3-1-2-4-14(13)19-16-20-17(23-5-9-27-10-6-23)22-18(21-16)24-7-11-28-12-8-24/h1-4H,5-12H2,(H,25,26)(H,19,20,21,22).
What are the key properties of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid has a molecular weight of 386.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid is sourced from PubChem (CID 1288339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).