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

C10H18N4O — CID 58502729

IUPAC2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCCCc1nc(C)nc(NCCO)n1
InChIInChI=1S/C10H18N4O/c1-3-4-5-9-12-8(2)13-10(14-9)11-6-7-15/h15H,3-7H2,1-2H3,(H,11,12,13,14)
InChIKeyHKFBEBCGVBVJAQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.93
Rot. Bonds6

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

2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 58502729) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID58502729
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCCCc1nc(C)nc(NCCO)n1
InChIInChI=1S/C10H18N4O/c1-3-4-5-9-12-8(2)13-10(14-9)11-6-7-15/h15H,3-7H2,1-2H3,(H,11,12,13,14)
InChIKeyHKFBEBCGVBVJAQ-UHFFFAOYSA-N
XLogP0.93
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
2-N-(2-aminoethyl)-4-N-[3-[4-[3-[4-(2-aminoethylamino)-6-[3-[4-[3-[4-(2-aminoethylamino)-6-methyl-1,3,5-triazin-2-yl]propylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]propylamino]-1,3,5-triazin-2-yl]propylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]propyl]-6-[3-[[4-(3-aminopropyl)-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]propyl]-1,3,5-triazine-2,4-diamine
CID 158738453
N,4-diethyl-6-methyl-1,3,5-triazin-2-amine
CID 21337127
4-butyl-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106659328
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
N-(4-ethyl-6-methyl-1,3,5-triazin-2-yl)hydroxylamine
CID 89384757
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine
CID 159580241

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol (CID 58502729) is 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol is CCCCc1nc(C)nc(NCCO)n1.
What is the InChIKey of 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is HKFBEBCGVBVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-5-9-12-8(2)13-10(14-9)11-6-7-15/h15H,3-7H2,1-2H3,(H,11,12,13,14).
What are the key properties of 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol?
2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 58502729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).