2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol

C18H33N7O2 — CID 117093933

IUPAC2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCN(CC)c1nc(NCCO)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C18H33N7O2/c1-3-23(4-2)17-20-16(19-7-12-26)21-18(22-17)25-8-5-15(6-9-25)24-10-13-27-14-11-24/h15,26H,3-14H2,1-2H3,(H,19,20,21,22)
InChIKeyYIGXPSAOZXXQIF-UHFFFAOYSA-N
MW379.51 g/mol
LogP0.42
Rot. Bonds8

About 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 117093933) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID117093933
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC Name2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCN(CC)c1nc(NCCO)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C18H33N7O2/c1-3-23(4-2)17-20-16(19-7-12-26)21-18(22-17)25-8-5-15(6-9-25)24-10-13-27-14-11-24/h15,26H,3-14H2,1-2H3,(H,19,20,21,22)
InChIKeyYIGXPSAOZXXQIF-UHFFFAOYSA-N
XLogP0.42
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-{[4,6-Di(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}ethanol
CID 2835546
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3605435
N-ethyl-4-[4-[3-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-3-amine
CID 49862876
N-cyclopentyl-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 7589329
Cambridge id 5354217
CID 779717
6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 71853074
2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 124848002
N-cyclopropyl-4,6-bis[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine
CID 138022924
2-[(4,6-Dipiperidyl-1,3,5-triazin-2-yl)amino]ethan-1-ol
CID 2188447

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol (CID 117093933) is 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol is CCN(CC)c1nc(NCCO)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is YIGXPSAOZXXQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-3-23(4-2)17-20-16(19-7-12-26)21-18(22-17)25-8-5-15(6-9-25)24-10-13-27-14-11-24/h15,26H,3-14H2,1-2H3,(H,19,20,21,22).
What are the key properties of 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 379.51 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 117093933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).