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

C14H16ClN5O2 — CID 4237348

IUPACethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H16ClN5O2/c1-3-22-11(21)8-16-13-18-12(15)19-14(20-13)17-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyCKOQMISYMJEEDT-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.55
Rot. Bonds6

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

ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 4237348) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate
PubChem CID4237348
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Nameethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H16ClN5O2/c1-3-22-11(21)8-16-13-18-12(15)19-14(20-13)17-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyCKOQMISYMJEEDT-UHFFFAOYSA-N
XLogP2.55
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 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
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226
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
N-(4-methylphenyl)-4,6-di(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1353607
N-(4-butylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580233
Methyl {[4-chloro-6-(4-toluidino)-1,3,5-triazin-2-yl]amino}acetate
CID 790428
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
(4-Butylphenyl)-(4,6-dimorpholino-s-triazin-2-yl)amine;hydrochloride
CID 7192036

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate (CID 4237348) is ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is CKOQMISYMJEEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-3-22-11(21)8-16-13-18-12(15)19-14(20-13)17-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 321.77 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 4237348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).