3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine

C15H16BrF2N3O — CID 118034861

IUPAC3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine
SMILESCc1nc(N(C)Cc2ccc(OC(F)F)cc2)c(Br)cc1N
InChIInChI=1S/C15H16BrF2N3O/c1-9-13(19)7-12(16)14(20-9)21(2)8-10-3-5-11(6-4-10)22-15(17)18/h3-7,15H,8,19H2,1-2H3
InChIKeySSRMWYVCMWKRPU-UHFFFAOYSA-N
MW372.21 g/mol
LogP3.97
Rot. Bonds5

About 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine

3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine (PubChem CID 118034861) has the molecular formula C15H16BrF2N3O and a molecular weight of 372.21 g/mol. Its IUPAC name is 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine
PubChem CID118034861
Molecular FormulaC15H16BrF2N3O
Molecular Weight372.21 g/mol
Exact Mass371.04
IUPAC Name3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine
SMILESCc1nc(N(C)Cc2ccc(OC(F)F)cc2)c(Br)cc1N
InChIInChI=1S/C15H16BrF2N3O/c1-9-13(19)7-12(16)14(20-9)21(2)8-10-3-5-11(6-4-10)22-15(17)18/h3-7,15H,8,19H2,1-2H3
InChIKeySSRMWYVCMWKRPU-UHFFFAOYSA-N
XLogP3.97
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-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 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine (CID 118034861) is 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine is Cc1nc(N(C)Cc2ccc(OC(F)F)cc2)c(Br)cc1N.
What is the InChIKey of 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine?
The InChIKey is SSRMWYVCMWKRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3O/c1-9-13(19)7-12(16)14(20-9)21(2)8-10-3-5-11(6-4-10)22-15(17)18/h3-7,15H,8,19H2,1-2H3.
What are the key properties of 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine?
3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine has a molecular weight of 372.21 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,6-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 118034861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).