2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide

C13H24N6O2 — CID 80785634

IUPAC2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(NCC)nc(OCC)n1
InChIInChI=1S/C13H24N6O2/c1-5-8-19(9-10(20)14-4)12-16-11(15-6-2)17-13(18-12)21-7-3/h5-9H2,1-4H3,(H,14,20)(H,15,16,17,18)
InChIKeyUOCIVVMRTMXFDE-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.66
Rot. Bonds9

About 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide

2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide (PubChem CID 80785634) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
PubChem CID80785634
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(NCC)nc(OCC)n1
InChIInChI=1S/C13H24N6O2/c1-5-8-19(9-10(20)14-4)12-16-11(15-6-2)17-13(18-12)21-7-3/h5-9H2,1-4H3,(H,14,20)(H,15,16,17,18)
InChIKeyUOCIVVMRTMXFDE-UHFFFAOYSA-N
XLogP0.66
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 80785242
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 103104298
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80904852
2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80809793
6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80806098
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
6-ethoxy-2-N-ethyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774432
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80820792
2-[butyl-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80820628
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide (CID 80785634) is 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nc(NCC)nc(OCC)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide?
The InChIKey is UOCIVVMRTMXFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-5-8-19(9-10(20)14-4)12-16-11(15-6-2)17-13(18-12)21-7-3/h5-9H2,1-4H3,(H,14,20)(H,15,16,17,18).
What are the key properties of 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide?
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide has a molecular weight of 296.38 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide is sourced from PubChem (CID 80785634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).