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

C14H27N5O2 — CID 80779235

IUPAC2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCN(CCO)c1nc(NCC)nc(OC(C)C)n1
InChIInChI=1S/C14H27N5O2/c1-5-7-8-19(9-10-20)13-16-12(15-6-2)17-14(18-13)21-11(3)4/h11,20H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyPYKBTMRSUWUDGJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.69
Rot. Bonds10

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

2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 80779235) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID80779235
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCN(CCO)c1nc(NCC)nc(OC(C)C)n1
InChIInChI=1S/C14H27N5O2/c1-5-7-8-19(9-10-20)13-16-12(15-6-2)17-14(18-13)21-11(3)4/h11,20H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyPYKBTMRSUWUDGJ-UHFFFAOYSA-N
XLogP1.69
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80809793
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine
CID 155644145
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
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80820590
2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80772422
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol (CID 80779235) is 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol is CCCCN(CCO)c1nc(NCC)nc(OC(C)C)n1.
What is the InChIKey of 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is PYKBTMRSUWUDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-5-7-8-19(9-10-20)13-16-12(15-6-2)17-14(18-13)21-11(3)4/h11,20H,5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol?
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 297.40 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 80779235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).