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

C10H16ClN5O2 — CID 2053555

IUPACethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCCNc1nc(Cl)nc(NCC(=O)OCC)n1
InChIInChI=1S/C10H16ClN5O2/c1-3-5-12-9-14-8(11)15-10(16-9)13-6-7(17)18-4-2/h3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyBRDYHUGRYOPAIM-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.32
Rot. Bonds7

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

ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 2053555) has the molecular formula C10H16ClN5O2 and a molecular weight of 273.72 g/mol. Its IUPAC name is ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
PubChem CID2053555
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCCNc1nc(Cl)nc(NCC(=O)OCC)n1
InChIInChI=1S/C10H16ClN5O2/c1-3-5-12-9-14-8(11)15-10(16-9)13-6-7(17)18-4-2/h3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyBRDYHUGRYOPAIM-UHFFFAOYSA-N
XLogP1.32
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 826236
Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
methyl N-[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]glycinate
CID 872499
methyl N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]glycinate
CID 935000
methyl 2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 753811
Chembrdg-BB 5224352
CID 788674
Ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 948154
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
(1-Amino-3-aminooxypropan-2-yl) 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]acetate;dihydrochloride
CID 90665169
Eglinazine-ethyl
CID 81091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate (CID 2053555) is ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate is CCCNc1nc(Cl)nc(NCC(=O)OCC)n1.
What is the InChIKey of ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is BRDYHUGRYOPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-3-5-12-9-14-8(11)15-10(16-9)13-6-7(17)18-4-2/h3-6H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 273.72 g/mol, XLogP of 1.32, 7 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-(propylamino)-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 2053555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).