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

C9H15N5O3 — CID 935000

IUPACmethyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(OC)nc(N(C)C)n1
InChIInChI=1S/C9H15N5O3/c1-14(2)8-11-7(10-5-6(15)16-3)12-9(13-8)17-4/h5H2,1-4H3,(H,10,11,12,13)
InChIKeyZNMIPVGPQIFKMI-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.47
Rot. Bonds5

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

methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 935000) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate
PubChem CID935000
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Namemethyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(OC)nc(N(C)C)n1
InChIInChI=1S/C9H15N5O3/c1-14(2)8-11-7(10-5-6(15)16-3)12-9(13-8)17-4/h5H2,1-4H3,(H,10,11,12,13)
InChIKeyZNMIPVGPQIFKMI-UHFFFAOYSA-N
XLogP-0.47
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 826236
[(4,6-Bis(dimethylamino)-[1,3,5]triazin-2-yl)(cyano)amino]acetic acid, ethyl ester
CID 3327151
Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
Methyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]acetate
CID 742275
[Cyano-(4-methylamino-6-methylsulfanyl-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 742236
methyl 2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 753811
Proglinazine-ethyl
CID 50107
[Cyano-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 654168
[Cyano-(4-ethylamino-6-methylsulfanyl-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 785949
[Cyano-(4-isopropylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 785950
methyl N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N-cyanoalaninate
CID 3100746
Eglinazine-ethyl
CID 81091

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate (CID 935000) is methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate is COC(=O)CNc1nc(OC)nc(N(C)C)n1.
What is the InChIKey of methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is ZNMIPVGPQIFKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-14(2)8-11-7(10-5-6(15)16-3)12-9(13-8)17-4/h5H2,1-4H3,(H,10,11,12,13).
What are the key properties of methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate?
methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 241.25 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 935000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).