2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol

C14H18ClN5O3 — CID 3146885

IUPAC2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H18ClN5O3/c1-3-23-14-19-12(16-6-7-21)18-13(20-14)17-10-8-9(15)4-5-11(10)22-2/h4-5,8,21H,3,6-7H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyNGLKRVORGDIDRP-UHFFFAOYSA-N
MW339.78 g/mol
LogP2.08
Rot. Bonds8

About 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3146885) has the molecular formula C14H18ClN5O3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3146885
Molecular FormulaC14H18ClN5O3
Molecular Weight339.78 g/mol
Exact Mass339.11
IUPAC Name2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H18ClN5O3/c1-3-23-14-19-12(16-6-7-21)18-13(20-14)17-10-8-9(15)4-5-11(10)22-2/h4-5,8,21H,3,6-7H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyNGLKRVORGDIDRP-UHFFFAOYSA-N
XLogP2.08
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol (CID 3146885) is 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol is CCOc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is NGLKRVORGDIDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3/c1-3-23-14-19-12(16-6-7-21)18-13(20-14)17-10-8-9(15)4-5-11(10)22-2/h4-5,8,21H,3,6-7H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 339.78 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3146885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).