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

C20H17ClN4O2 — CID 74221165

IUPAC2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1
InChIInChI=1S/C20H17ClN4O2/c21-15-3-1-2-14(11-15)19-23-18(13-6-7-13)24-20(25-19)22-16-8-4-12(5-9-16)10-17(26)27/h1-5,8-9,11,13H,6-7,10H2,(H,26,27)(H,22,23,24,25)
InChIKeyCJQFUKZLNADPJB-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.44
Rot. Bonds6

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

2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid (PubChem CID 74221165) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
PubChem CID74221165
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1
InChIInChI=1S/C20H17ClN4O2/c21-15-3-1-2-14(11-15)19-23-18(13-6-7-13)24-20(25-19)22-16-8-4-12(5-9-16)10-17(26)27/h1-5,8-9,11,13H,6-7,10H2,(H,26,27)(H,22,23,24,25)
InChIKeyCJQFUKZLNADPJB-UHFFFAOYSA-N
XLogP4.44
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
CID 74221301
2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
CID 74221360
3-(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl)amino)phenyl)propan-1-ol
CID 74221498
2-[4-[[4-(5-Chlorothiophen-2-yl)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221042
2-[4-[[4-(5-Chlorothiophen-2-yl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221099
2-[4-[[4-(5-Chlorothiophen-2-yl)-6-propyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221104
2-[4-[[4-(5-Chlorothiophen-2-yl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221105
2-[4-[[4-(4-Chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221166
4-[[4-(4-Chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid
CID 74221167
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221168
4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzoic acid
CID 74221169
4-[[4-(3-Chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid
CID 74221229

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid (CID 74221165) is 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1.
What is the InChIKey of 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?
The InChIKey is CJQFUKZLNADPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-3-1-2-14(11-15)19-23-18(13-6-7-13)24-20(25-19)22-16-8-4-12(5-9-16)10-17(26)27/h1-5,8-9,11,13H,6-7,10H2,(H,26,27)(H,22,23,24,25).
What are the key properties of 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?
2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid has a molecular weight of 380.84 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid is sourced from PubChem (CID 74221165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).