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

C8H13ClN4O2 — CID 80860791

IUPAC2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
SMILESCCCNc1nc(Cl)nc(OCCO)n1
InChIInChI=1S/C8H13ClN4O2/c1-2-3-10-7-11-6(9)12-8(13-7)15-5-4-14/h14H,2-5H2,1H3,(H,10,11,12,13)
InChIKeyQVWQPAIPPAULIM-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.72
Rot. Bonds6

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

2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol (PubChem CID 80860791) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
PubChem CID80860791
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
SMILESCCCNc1nc(Cl)nc(OCCO)n1
InChIInChI=1S/C8H13ClN4O2/c1-2-3-10-7-11-6(9)12-8(13-7)15-5-4-14/h14H,2-5H2,1H3,(H,10,11,12,13)
InChIKeyQVWQPAIPPAULIM-UHFFFAOYSA-N
XLogP0.72
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol with MolForge

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Related Compounds

4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878028
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethanol
CID 62859409
2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 87430184
4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 102723608
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol?
The IUPAC name of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol (CID 80860791) is 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol is CCCNc1nc(Cl)nc(OCCO)n1.
What is the InChIKey of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol?
The InChIKey is QVWQPAIPPAULIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c1-2-3-10-7-11-6(9)12-8(13-7)15-5-4-14/h14H,2-5H2,1H3,(H,10,11,12,13).
What are the key properties of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol?
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol has a molecular weight of 232.67 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol is sourced from PubChem (CID 80860791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).