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

C12H22N6O2 — CID 62010786

IUPACmethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-5-6-18(8-10(19)20-4)7-9-14-11(13)16-12(15-9)17(2)3/h5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyMRUMERZEEQMNBI-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.10
Rot. Bonds7

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

methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate (PubChem CID 62010786) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate
PubChem CID62010786
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Namemethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-5-6-18(8-10(19)20-4)7-9-14-11(13)16-12(15-9)17(2)3/h5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyMRUMERZEEQMNBI-UHFFFAOYSA-N
XLogP-0.10
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate?
The IUPAC name of methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate (CID 62010786) is methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate?
The canonical SMILES for methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate is CCCN(CC(=O)OC)Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate?
The InChIKey is MRUMERZEEQMNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-5-6-18(8-10(19)20-4)7-9-14-11(13)16-12(15-9)17(2)3/h5-8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate?
methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate has a molecular weight of 282.35 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate is sourced from PubChem (CID 62010786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).