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

C15H19ClN6O2 — CID 3141864

IUPAC2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H19ClN6O2/c16-11-1-3-12(4-2-11)18-14-19-13(17-5-8-23)20-15(21-14)22-6-9-24-10-7-22/h1-4,23H,5-10H2,(H2,17,18,19,20,21)
InChIKeyRLTOZUBSQJGNAU-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.51
Rot. Bonds6

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

2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3141864) has the molecular formula C15H19ClN6O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3141864
Molecular FormulaC15H19ClN6O2
Molecular Weight350.81 g/mol
Exact Mass350.13
IUPAC Name2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H19ClN6O2/c16-11-1-3-12(4-2-11)18-14-19-13(17-5-8-23)20-15(21-14)22-6-9-24-10-7-22/h1-4,23H,5-10H2,(H2,17,18,19,20,21)
InChIKeyRLTOZUBSQJGNAU-UHFFFAOYSA-N
XLogP1.51
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
N-(4-chlorophenyl)-6-morpholin-4-yl-N'-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3243109
2-[[4-(4-Chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 2055451
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865
1-[2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-chlorophenyl)urea
CID 2239351
N-(3-chlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 16810777
2-({4-[(4-Chlorophenyl)amino]-6-ethoxy-1,3,5-triazin-2-YL}amino)ethan-1-OL
CID 5124090

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 3141864) is 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is RLTOZUBSQJGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2/c16-11-1-3-12(4-2-11)18-14-19-13(17-5-8-23)20-15(21-14)22-6-9-24-10-7-22/h1-4,23H,5-10H2,(H2,17,18,19,20,21).
What are the key properties of 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 350.81 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3141864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).