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

C13H25N5O2 — CID 80809793

IUPAC2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCN(CCO)c1nc(NCC)nc(OCC)n1
InChIInChI=1S/C13H25N5O2/c1-4-7-8-18(9-10-19)12-15-11(14-5-2)16-13(17-12)20-6-3/h19H,4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyYZNRHMFBSFQBPD-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.30
Rot. Bonds10

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

2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 80809793) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID80809793
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCN(CCO)c1nc(NCC)nc(OCC)n1
InChIInChI=1S/C13H25N5O2/c1-4-7-8-18(9-10-19)12-15-11(14-5-2)16-13(17-12)20-6-3/h19H,4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyYZNRHMFBSFQBPD-UHFFFAOYSA-N
XLogP1.30
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688
6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 80785634
2-[butyl-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80820628
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol
CID 80796567
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 103104298
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 80814007
2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80820792

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 80809793) is 2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol is CCCCN(CCO)c1nc(NCC)nc(OCC)n1.
What is the InChIKey of 2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is YZNRHMFBSFQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-7-8-18(9-10-19)12-15-11(14-5-2)16-13(17-12)20-6-3/h19H,4-10H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 283.38 g/mol, XLogP of 1.30, 10 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-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 80809793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).