N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine

C14H16FN3OS — CID 102989125

IUPACN-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(F)ccc2C)nc(SC)n1
InChIInChI=1S/C14H16FN3OS/c1-4-16-12-8-13(18-14(17-12)20-3)19-11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyFQTDJYYRZZFSHU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.87
Rot. Bonds5

About N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine

N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 102989125) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
PubChem CID102989125
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC NameN-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(F)ccc2C)nc(SC)n1
InChIInChI=1S/C14H16FN3OS/c1-4-16-12-8-13(18-14(17-12)20-3)19-11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyFQTDJYYRZZFSHU-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-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-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine (CID 102989125) is N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(Oc2cc(F)ccc2C)nc(SC)n1.
What is the InChIKey of N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FQTDJYYRZZFSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-4-16-12-8-13(18-14(17-12)20-3)19-11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 102989125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).