2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid

C20H19N5O4 — CID 4767473

IUPAC2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H19N5O4/c26-17(27)15-8-4-5-9-16(15)29-20-23-18(21-14-6-2-1-3-7-14)22-19(24-20)25-10-12-28-13-11-25/h1-9H,10-13H2,(H,26,27)(H,21,22,23,24)
InChIKeyYMRKDVPXXPQJRF-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.94
Rot. Bonds6

About 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid (PubChem CID 4767473) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid.

Molecular Properties

Compound Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid
PubChem CID4767473
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H19N5O4/c26-17(27)15-8-4-5-9-16(15)29-20-23-18(21-14-6-2-1-3-7-14)22-19(24-20)25-10-12-28-13-11-25/h1-9H,10-13H2,(H,26,27)(H,21,22,23,24)
InChIKeyYMRKDVPXXPQJRF-UHFFFAOYSA-N
XLogP2.94
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid with MolForge

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Related Compounds

2-[(4,6-dianilino-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 4767524
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1288339
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 70504908
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
disodium;1,2-bis[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethene-1,2-disulfonate
CID 87429171
2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 685113
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine
CID 23607077
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid?
The IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid (CID 4767473) is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid.
What is the SMILES notation for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid?
The canonical SMILES for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid is O=C(O)c1ccccc1Oc1nc(Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid?
The InChIKey is YMRKDVPXXPQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c26-17(27)15-8-4-5-9-16(15)29-20-23-18(21-14-6-2-1-3-7-14)22-19(24-20)25-10-12-28-13-11-25/h1-9H,10-13H2,(H,26,27)(H,21,22,23,24).
What are the key properties of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid?
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid has a molecular weight of 393.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid is sourced from PubChem (CID 4767473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).