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

C20H20N6O3 — CID 4767474

IUPAC4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H20N6O3/c27-17(28)14-6-8-16(9-7-14)22-19-23-18(21-15-4-2-1-3-5-15)24-20(25-19)26-10-12-29-13-11-26/h1-9H,10-13H2,(H,27,28)(H2,21,22,23,24,25)
InChIKeyASIHRLBCYAIDCO-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.89
Rot. Bonds6

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

4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid (PubChem CID 4767474) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
PubChem CID4767474
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H20N6O3/c27-17(28)14-6-8-16(9-7-14)22-19-23-18(21-15-4-2-1-3-5-15)24-20(25-19)26-10-12-29-13-11-26/h1-9H,10-13H2,(H,27,28)(H2,21,22,23,24,25)
InChIKeyASIHRLBCYAIDCO-UHFFFAOYSA-N
XLogP2.89
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
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-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
1-[4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 42065578
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
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 4767473
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
(2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5441896

Frequently Asked Questions

What is the IUPAC name of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The IUPAC name of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid (CID 4767474) is 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The InChIKey is ASIHRLBCYAIDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-17(28)14-6-8-16(9-7-14)22-19-23-18(21-15-4-2-1-3-5-15)24-20(25-19)26-10-12-29-13-11-26/h1-9H,10-13H2,(H,27,28)(H2,21,22,23,24,25).
What are the key properties of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid has a molecular weight of 392.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid is sourced from PubChem (CID 4767474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).