2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C11H11F2N5O — CID 80762233

IUPAC2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)cc(F)c2)nc(OC)n1
InChIInChI=1S/C11H11F2N5O/c1-14-9-16-10(18-11(17-9)19-2)15-8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyAINWTHWWLCPLJP-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.94
Rot. Bonds4

About 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80762233) has the molecular formula C11H11F2N5O and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80762233
Molecular FormulaC11H11F2N5O
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)cc(F)c2)nc(OC)n1
InChIInChI=1S/C11H11F2N5O/c1-14-9-16-10(18-11(17-9)19-2)15-8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyAINWTHWWLCPLJP-UHFFFAOYSA-N
XLogP1.94
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine 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 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80762233) is 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2cc(F)cc(F)c2)nc(OC)n1.
What is the InChIKey of 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AINWTHWWLCPLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O/c1-14-9-16-10(18-11(17-9)19-2)15-8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80762233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).