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

C11H18ClN5O2 — CID 788674

IUPACethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-19-7(18)6-13-9-14-8(12)15-10(16-9)17-11(2,3)4/h5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyYNMJIBFWFJIUDR-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.71
Rot. Bonds5

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

ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 788674) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate
PubChem CID788674
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Nameethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-19-7(18)6-13-9-14-8(12)15-10(16-9)17-11(2,3)4/h5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyYNMJIBFWFJIUDR-UHFFFAOYSA-N
XLogP1.71
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 826236
Cyanazine acid
CID 181486
Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
methyl 2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 753811
Proglinazine-ethyl
CID 50107
[Cyano-(4-isopropylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 785950
Chembrdg-BB 5251426
CID 534727
Eglinazine-ethyl
CID 81091
Ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 2053555
Trimethyl 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]triacetate
CID 67194763
Ethyl ({4-[(2-ethoxy-2-oxoethyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)acetate
CID 56696110
Ethyl {[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino}acetate
CID 712293

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate (CID 788674) is ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is YNMJIBFWFJIUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-5-19-7(18)6-13-9-14-8(12)15-10(16-9)17-11(2,3)4/h5-6H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 287.75 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 788674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).