4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine

C11H17ClN4O2 — CID 63706907

IUPAC4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2CCOCC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-2-18-11-15-9(12)14-10(16-11)13-7-8-3-5-17-6-4-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyUGFSHMUCIIPFHT-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.76
Rot. Bonds5

About 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63706907) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID63706907
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2CCOCC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-2-18-11-15-9(12)14-10(16-11)13-7-8-3-5-17-6-4-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyUGFSHMUCIIPFHT-UHFFFAOYSA-N
XLogP1.76
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine (CID 63706907) is 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCC2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is UGFSHMUCIIPFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-2-18-11-15-9(12)14-10(16-11)13-7-8-3-5-17-6-4-8/h8H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 272.74 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63706907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).