2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide

C12H22N6O2 — CID 80820792

IUPAC2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(NC)nc(OCC)n1
InChIInChI=1S/C12H22N6O2/c1-4-6-7-18(8-9(13)19)11-15-10(14-3)16-12(17-11)20-5-2/h4-8H2,1-3H3,(H2,13,19)(H,14,15,16,17)
InChIKeyZKVGVDCJGRPVIG-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.40
Rot. Bonds9

About 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide

2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 80820792) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID80820792
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(NC)nc(OCC)n1
InChIInChI=1S/C12H22N6O2/c1-4-6-7-18(8-9(13)19)11-15-10(14-3)16-12(17-11)20-5-2/h4-8H2,1-3H3,(H2,13,19)(H,14,15,16,17)
InChIKeyZKVGVDCJGRPVIG-UHFFFAOYSA-N
XLogP0.40
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-amino-2-oxoethyl)-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80919652
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 80785242
2-[butyl-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80820628
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 103104298
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 80785634
2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80809793
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-[cyanomethyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80753645
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide (CID 80820792) is 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide is CCCCN(CC(N)=O)c1nc(NC)nc(OCC)n1.
What is the InChIKey of 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is ZKVGVDCJGRPVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-4-6-7-18(8-9(13)19)11-15-10(14-3)16-12(17-11)20-5-2/h4-8H2,1-3H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide?
2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 282.35 g/mol, XLogP of 0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 80820792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).