2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid

C19H17FN4O2 — CID 74221234

IUPAC2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
SMILESCCc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN4O2/c1-2-16-22-18(13-4-3-5-14(20)11-13)24-19(23-16)21-15-8-6-12(7-9-15)10-17(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H,21,22,23,24)
InChIKeyLJXOQAPNGYSSRG-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.61
Rot. Bonds6

About 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid

2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid (PubChem CID 74221234) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
PubChem CID74221234
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
SMILESCCc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN4O2/c1-2-16-22-18(13-4-3-5-14(20)11-13)24-19(23-16)21-15-8-6-12(7-9-15)10-17(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H,21,22,23,24)
InChIKeyLJXOQAPNGYSSRG-UHFFFAOYSA-N
XLogP3.61
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid with MolForge

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Related Compounds

(4-{[4-(3-Chlorophenyl)-6-Cyclopropyl-1,3,5-Triazin-2-Yl]amino}phenyl)acetic Acid
CID 74221165
2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 71624844
2-[4-[[4-(4-Chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221166
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221168
2-[4-[[4-Cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221233
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid
CID 74221361
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropanoic acid
CID 74221363
2-(4-(5-Allyl-6-methyl-2-p-tolylpyrimidin-4-ylamino)phenyl)acetic acid
CID 54580135
2-[4-[(2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]phenyl]acetic acid
CID 71624845
2-[4-[(2-Phenylquinazolin-4-yl)amino]phenyl]acetic acid
CID 71624960
2-[4-[[4-Ethyl-6-(4-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 118708069
2-(4-(5-Allyl-6-methyl-2-m-tolylpyrimidin-4-ylamino)phenyl)acetic acid
CID 54584101

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid (CID 74221234) is 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid is CCc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?
The InChIKey is LJXOQAPNGYSSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-2-16-22-18(13-4-3-5-14(20)11-13)24-19(23-16)21-15-8-6-12(7-9-15)10-17(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H,21,22,23,24).
What are the key properties of 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?
2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid has a molecular weight of 352.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-ethyl-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid is sourced from PubChem (CID 74221234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).