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

C9H13ClN4O — CID 83240679

IUPAC4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCC2CCCO2)n1
InChIInChI=1S/C9H13ClN4O/c10-8-12-7(13-9(11)14-8)4-3-6-2-1-5-15-6/h6H,1-5H2,(H2,11,12,13,14)
InChIKeyMBGOFWARUGUHGL-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.22
Rot. Bonds3

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

4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 83240679) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID83240679
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCC2CCCO2)n1
InChIInChI=1S/C9H13ClN4O/c10-8-12-7(13-9(11)14-8)4-3-6-2-1-5-15-6/h6H,1-5H2,(H2,11,12,13,14)
InChIKeyMBGOFWARUGUHGL-UHFFFAOYSA-N
XLogP1.22
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.22
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-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 83240679) is 4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(CCC2CCCO2)n1.
What is the InChIKey of 4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is MBGOFWARUGUHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-8-12-7(13-9(11)14-8)4-3-6-2-1-5-15-6/h6H,1-5H2,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 228.68 g/mol, XLogP of 1.22, 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-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).