[4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine

C13H14FN3O — CID 113432166

IUPAC[4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1ncc(F)cn1
InChIInChI=1S/C13H14FN3O/c1-8-3-10(5-15)4-9(2)12(8)18-13-16-6-11(14)7-17-13/h3-4,6-7H,5,15H2,1-2H3
InChIKeyUREANQNAHWHSBU-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.48
Rot. Bonds3

About [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine

[4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine (PubChem CID 113432166) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine
PubChem CID113432166
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1ncc(F)cn1
InChIInChI=1S/C13H14FN3O/c1-8-3-10(5-15)4-9(2)12(8)18-13-16-6-11(14)7-17-13/h3-4,6-7H,5,15H2,1-2H3
InChIKeyUREANQNAHWHSBU-UHFFFAOYSA-N
XLogP2.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine 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-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine (CID 113432166) is [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine is Cc1cc(CN)cc(C)c1Oc1ncc(F)cn1.
What is the InChIKey of [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine?
The InChIKey is UREANQNAHWHSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-3-10(5-15)4-9(2)12(8)18-13-16-6-11(14)7-17-13/h3-4,6-7H,5,15H2,1-2H3.
What are the key properties of [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine?
[4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine has a molecular weight of 247.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 113432166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).