N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C9H14F2N4O3 — CID 103081594

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCOCC(F)F)nc(OC)n1
InChIInChI=1S/C9H14F2N4O3/c1-16-8-13-7(14-9(15-8)17-2)12-3-4-18-5-6(10)11/h6H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyTZMCTGYNIMCCPT-UHFFFAOYSA-N
MW264.23 g/mol
LogP0.58
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 103081594) has the molecular formula C9H14F2N4O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID103081594
Molecular FormulaC9H14F2N4O3
Molecular Weight264.23 g/mol
Exact Mass264.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCOCC(F)F)nc(OC)n1
InChIInChI=1S/C9H14F2N4O3/c1-16-8-13-7(14-9(15-8)17-2)12-3-4-18-5-6(10)11/h6H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyTZMCTGYNIMCCPT-UHFFFAOYSA-N
XLogP0.58
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-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 N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 103081594) is N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NCCOCC(F)F)nc(OC)n1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is TZMCTGYNIMCCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O3/c1-16-8-13-7(14-9(15-8)17-2)12-3-4-18-5-6(10)11/h6H,3-5H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 264.23 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 103081594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).