methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine

C7H14N6O3 — CID 69403457

IUPACmethyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine
SMILESCOCC(=O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8O3.C3H6N6/c1-6-3-4(5)7-2;4-1-7-2(5)9-3(6)8-1/h3H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyWXNOYXWGACJRIU-UHFFFAOYSA-N
MW230.23 g/mol
LogP-1.58
Rot. Bonds2

About methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine

methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine (PubChem CID 69403457) has the molecular formula C7H14N6O3 and a molecular weight of 230.23 g/mol. Its IUPAC name is methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namemethyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine
PubChem CID69403457
Molecular FormulaC7H14N6O3
Molecular Weight230.23 g/mol
Exact Mass230.11
IUPAC Namemethyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine
SMILESCOCC(=O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8O3.C3H6N6/c1-6-3-4(5)7-2;4-1-7-2(5)9-3(6)8-1/h3H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyWXNOYXWGACJRIU-UHFFFAOYSA-N
XLogP-1.58
TPSA152.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

Methoxymethane;methyl 2-hydroxyacetate;1,3,5-triazine-2,4,6-triamine
CID 70520922
Methyl melamine glycolate methyl ether
CID 70520923
2-Hydroxyacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 70523701
2-Methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 70523702
2-Hydroxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 159375275
2-Methoxyacetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 160474165
Ethyl acetate;1,3,5-triazine-2,4,6-triamine
CID 161324357
Methyl 2-[[4,6-bis(2-methoxy-2-oxoethoxy)-1,3,5-triazin-2-yl]oxy]acetate
CID 168105148
2-O-[4,6-bis[(2-ethoxy-2-oxoacetyl)oxy]-1,3,5-triazin-2-yl] 1-O-ethyl oxalate
CID 16663500
[4,6-Bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate
CID 16663501
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid
CID 114335264

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine (CID 69403457) is methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine is COCC(=O)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is WXNOYXWGACJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H6N6/c1-6-3-4(5)7-2;4-1-7-2(5)9-3(6)8-1/h3H2,1-2H3;(H6,4,5,6,7,8,9).
What are the key properties of methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine?
methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 230.23 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 69403457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).