methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate

C13H14ClN5O2 — CID 790428

IUPACmethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C13H14ClN5O2/c1-8-3-5-9(6-4-8)16-13-18-11(14)17-12(19-13)15-7-10(20)21-2/h3-6H,7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFNMRGVAILKFWKT-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate

methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 790428) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate
PubChem CID790428
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Namemethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C13H14ClN5O2/c1-8-3-5-9(6-4-8)16-13-18-11(14)17-12(19-13)15-7-10(20)21-2/h3-6H,7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFNMRGVAILKFWKT-UHFFFAOYSA-N
XLogP2.16
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Related Compounds

2-[4-Chloro-6-(4-isopropyl-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3129759
Ethyl 2-{[4-chloro-6-(4-toluidino)-1,3,5-triazin-2-yl]amino}acetate
CID 4237348
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
Ethyl [(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]acetate
CID 790418
ethyl N-{4-chloro-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}glycinate
CID 790416
N-butyl-6-chloro-N'-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 3107866
Methyl N-{4-chloro-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}glycinate
CID 788676
2-[[4-Chloro-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]-methylamino]acetic acid
CID 13413761
4-chloro-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1078716
Ethyl 2-[(4-piperidyl-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl) amino]acetate
CID 3988094
ethyl N-(4-morpholin-4-yl-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl)glycinate
CID 5244583
6-chloro-N-(4-methylphenyl)-N'-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 684471

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate (CID 790428) is methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate is COC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is FNMRGVAILKFWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-8-3-5-9(6-4-8)16-13-18-11(14)17-12(19-13)15-7-10(20)21-2/h3-6H,7H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate?
methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 307.74 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 790428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).