4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine

C13H14FN3O — CID 80864146

IUPAC4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C13H14FN3O/c1-8-4-9(2)6-10(5-8)18-12-11(14)7-16-13(15-3)17-12/h4-7H,1-3H3,(H,15,16,17)
InChIKeyFTISOHHULXLSRD-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.07
Rot. Bonds3

About 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine

4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80864146) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80864146
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C13H14FN3O/c1-8-4-9(2)6-10(5-8)18-12-11(14)7-16-13(15-3)17-12/h4-7H,1-3H3,(H,15,16,17)
InChIKeyFTISOHHULXLSRD-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dichlorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80874147
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211
4-(3-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 103589686
4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 81345946
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
2-[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864152
4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 115493705
[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916575
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862637
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine (CID 80864146) is 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Oc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is FTISOHHULXLSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-4-9(2)6-10(5-8)18-12-11(14)7-16-13(15-3)17-12/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80864146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).