2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid

C13H13ClN4O3 — CID 13413762

IUPAC2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid
SMILESCc1cccc(Nc2nc(Cl)nc(OCC(=O)O)n2)c1C
InChIInChI=1S/C13H13ClN4O3/c1-7-4-3-5-9(8(7)2)15-12-16-11(14)17-13(18-12)21-6-10(19)20/h3-5H,6H2,1-2H3,(H,19,20)(H,15,16,17,18)
InChIKeyWOGLFMJJMIRMPR-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.35
Rot. Bonds5

About 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid

2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid (PubChem CID 13413762) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid
PubChem CID13413762
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid
SMILESCc1cccc(Nc2nc(Cl)nc(OCC(=O)O)n2)c1C
InChIInChI=1S/C13H13ClN4O3/c1-7-4-3-5-9(8(7)2)15-12-16-11(14)17-13(18-12)21-6-10(19)20/h3-5H,6H2,1-2H3,(H,19,20)(H,15,16,17,18)
InChIKeyWOGLFMJJMIRMPR-UHFFFAOYSA-N
XLogP2.35
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid with MolForge

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Related Compounds

{[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxy}acetic acid
CID 13413752
2-[[4-Chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]-methylamino]acetic acid
CID 13413761
Ethyl ({4-(dimethylamino)-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}oxy)acetate
CID 662114
2-[[4-(2,3-Dimethylanilino)-6-ethoxy-1,3,5-triazin-2-yl]sulfanyl]acetic acid
CID 13413763
4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 55124546
4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55124573
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
4-chloro-6-ethoxy-N-(2-ethylphenyl)-1,3,5-triazin-2-amine
CID 55124831
4-chloro-6-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,5-triazin-2-amine
CID 62857160
4-chloro-N-(2,5-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 62857716
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 62858313

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid (CID 13413762) is 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid is Cc1cccc(Nc2nc(Cl)nc(OCC(=O)O)n2)c1C.
What is the InChIKey of 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid?
The InChIKey is WOGLFMJJMIRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-7-4-3-5-9(8(7)2)15-12-16-11(14)17-13(18-12)21-6-10(19)20/h3-5H,6H2,1-2H3,(H,19,20)(H,15,16,17,18).
What are the key properties of 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid?
2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid has a molecular weight of 308.73 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]oxy]acetic acid is sourced from PubChem (CID 13413762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).