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

C13H16ClN5O2 — CID 3132067

IUPAC2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
InChIInChI=1S/C13H16ClN5O2/c1-2-21-10-5-3-9(4-6-10)16-13-18-11(14)17-12(19-13)15-7-8-20/h3-6,20H,2,7-8H2,1H3,(H2,15,16,17,18,19)
InChIKeySWRDNBAIUYKSCU-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.07
Rot. Bonds7

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

2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3132067) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3132067
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
InChIInChI=1S/C13H16ClN5O2/c1-2-21-10-5-3-9(4-6-10)16-13-18-11(14)17-12(19-13)15-7-8-20/h3-6,20H,2,7-8H2,1H3,(H2,15,16,17,18,19)
InChIKeySWRDNBAIUYKSCU-UHFFFAOYSA-N
XLogP2.07
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 52.07
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-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 3132067) is 2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is CCOc1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1.
What is the InChIKey of 2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is SWRDNBAIUYKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-2-21-10-5-3-9(4-6-10)16-13-18-11(14)17-12(19-13)15-7-8-20/h3-6,20H,2,7-8H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-chloro-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 309.76 g/mol, XLogP of 2.07, 7 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-ethoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3132067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).