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

C12H22N6O2 — CID 3512467

IUPAC2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2/c1-9(2)14-11-15-10(13-3-6-19)16-12(17-11)18-4-7-20-8-5-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJSNQRMPCMUYRRH-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.07
Rot. Bonds6

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

2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3512467) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3512467
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2/c1-9(2)14-11-15-10(13-3-6-19)16-12(17-11)18-4-7-20-8-5-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJSNQRMPCMUYRRH-UHFFFAOYSA-N
XLogP-0.07
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 3512467) is 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is CC(C)Nc1nc(NCCO)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is JSNQRMPCMUYRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-9(2)14-11-15-10(13-3-6-19)16-12(17-11)18-4-7-20-8-5-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 282.35 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3512467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).