6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine

C12H11ClFN3O — CID 80942481

IUPAC6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-2-11-16-10(15)6-12(17-11)18-7-3-4-9(14)8(13)5-7/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyUKTLFKQANHMANL-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.21
Rot. Bonds3

About 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine

6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine (PubChem CID 80942481) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
PubChem CID80942481
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-2-11-16-10(15)6-12(17-11)18-7-3-4-9(14)8(13)5-7/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyUKTLFKQANHMANL-UHFFFAOYSA-N
XLogP3.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963670
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176
6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80941277
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
CID 80941864
2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
CID 80941964
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine (CID 80942481) is 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine?
The InChIKey is UKTLFKQANHMANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-2-11-16-10(15)6-12(17-11)18-7-3-4-9(14)8(13)5-7/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine?
6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80942481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).