4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine

C10H15ClN4O — CID 83240336

IUPAC4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCC2CCCCO2)n1
InChIInChI=1S/C10H15ClN4O/c11-9-13-8(14-10(12)15-9)5-4-7-3-1-2-6-16-7/h7H,1-6H2,(H2,12,13,14,15)
InChIKeyIYBZQOOENBBFMD-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.61
Rot. Bonds3

About 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 83240336) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID83240336
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCC2CCCCO2)n1
InChIInChI=1S/C10H15ClN4O/c11-9-13-8(14-10(12)15-9)5-4-7-3-1-2-6-16-7/h7H,1-6H2,(H2,12,13,14,15)
InChIKeyIYBZQOOENBBFMD-UHFFFAOYSA-N
XLogP1.61
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 83240336) is 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(CCC2CCCCO2)n1.
What is the InChIKey of 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is IYBZQOOENBBFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-9-13-8(14-10(12)15-9)5-4-7-3-1-2-6-16-7/h7H,1-6H2,(H2,12,13,14,15).
What are the key properties of 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).