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

C10H12ClN5O2 — CID 3141862

IUPAC2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C10H12ClN5O2/c11-8-14-9(12-3-4-17)16-10(15-8)13-6-7-2-1-5-18-7/h1-2,5,17H,3-4,6H2,(H2,12,13,14,15,16)
InChIKeyFZAPEBYTTIOSEM-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.13
Rot. Bonds6

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

2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3141862) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3141862
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Name2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C10H12ClN5O2/c11-8-14-9(12-3-4-17)16-10(15-8)13-6-7-2-1-5-18-7/h1-2,5,17H,3-4,6H2,(H2,12,13,14,15,16)
InChIKeyFZAPEBYTTIOSEM-UHFFFAOYSA-N
XLogP1.13
TPSA96.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.13
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-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 3141862) is 2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Cl)nc(NCc2ccco2)n1.
What is the InChIKey of 2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is FZAPEBYTTIOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c11-8-14-9(12-3-4-17)16-10(15-8)13-6-7-2-1-5-18-7/h1-2,5,17H,3-4,6H2,(H2,12,13,14,15,16).
What are the key properties of 2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 269.69 g/mol, XLogP of 1.13, 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-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3141862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).