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

C15H19N5O2S — CID 18079034

IUPACethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C15H19N5O2S/c1-3-22-13(21)9-23-8-12-18-14(16)20-15(19-12)17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyRDQNMCVTEHBECL-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.30
Rot. Bonds7

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

ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate (PubChem CID 18079034) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate
PubChem CID18079034
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Nameethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C15H19N5O2S/c1-3-22-13(21)9-23-8-12-18-14(16)20-15(19-12)17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyRDQNMCVTEHBECL-UHFFFAOYSA-N
XLogP2.30
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-N-(2-methylphenyl)-6-(phenylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 2446017
2-N-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 2498689
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(benzenesulfonyl)propanoate
CID 2538646
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 16295503
2-(4-Amino-6-p-tolylamino-[1,3,5]triazin-2-ylmethylsulfanyl)-ethanol
CID 1857272
2-((4-amino-6-(o-tolylamino)-1,3,5-triazin-2-yl)methylthio)-N-o-tolylacetamide
CID 2079368
2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-ethylphenyl)acetamide
CID 2118638
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl pentanoate
CID 2525125
2-[[4-(2,3-Dimethylanilino)-6-ethoxy-1,3,5-triazin-2-yl]sulfanyl]acetic acid
CID 13413763
[4-Amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3-(benzenesulfonyl)propanoate
CID 24982979
ethyl (2Z)-2-[3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 8087492
Methyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate
CID 8088897

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate (CID 18079034) is ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate is CCOC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1.
What is the InChIKey of ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate?
The InChIKey is RDQNMCVTEHBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-3-22-13(21)9-23-8-12-18-14(16)20-15(19-12)17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate?
ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate has a molecular weight of 333.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate is sourced from PubChem (CID 18079034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).