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

C12H14ClN5O2 — CID 3146888

IUPAC2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
InChIInChI=1S/C12H14ClN5O2/c1-20-9-4-2-8(3-5-9)15-12-17-10(13)16-11(18-12)14-6-7-19/h2-5,19H,6-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyUIQGEJJMXUFJGB-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.68
Rot. Bonds6

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

2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3146888) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3146888
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
InChIInChI=1S/C12H14ClN5O2/c1-20-9-4-2-8(3-5-9)15-12-17-10(13)16-11(18-12)14-6-7-19/h2-5,19H,6-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyUIQGEJJMXUFJGB-UHFFFAOYSA-N
XLogP1.68
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 3146888) is 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is COc1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1.
What is the InChIKey of 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is UIQGEJJMXUFJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-20-9-4-2-8(3-5-9)15-12-17-10(13)16-11(18-12)14-6-7-19/h2-5,19H,6-7H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 295.73 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3146888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).