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

C10H15Cl3N6O2 — CID 110178484

IUPAC2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NN2CCOCC2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H15Cl3N6O2/c11-10(12,13)7-15-8(14-1-4-20)17-9(16-7)18-19-2-5-21-6-3-19/h20H,1-6H2,(H2,14,15,16,17,18)
InChIKeyPOSASKYIUGTWFH-UHFFFAOYSA-N
MW357.63 g/mol
LogP0.76
Rot. Bonds5

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

2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 110178484) has the molecular formula C10H15Cl3N6O2 and a molecular weight of 357.63 g/mol. Its IUPAC name is 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID110178484
Molecular FormulaC10H15Cl3N6O2
Molecular Weight357.63 g/mol
Exact Mass356.03
IUPAC Name2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NN2CCOCC2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H15Cl3N6O2/c11-10(12,13)7-15-8(14-1-4-20)17-9(16-7)18-19-2-5-21-6-3-19/h20H,1-6H2,(H2,14,15,16,17,18)
InChIKeyPOSASKYIUGTWFH-UHFFFAOYSA-N
XLogP0.76
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol (CID 110178484) is 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(NN2CCOCC2)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is POSASKYIUGTWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl3N6O2/c11-10(12,13)7-15-8(14-1-4-20)17-9(16-7)18-19-2-5-21-6-3-19/h20H,1-6H2,(H2,14,15,16,17,18).
What are the key properties of 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 357.63 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(morpholin-4-ylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 110178484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).