6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine

C12H11ClFN3O — CID 82717800

IUPAC6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C12H11ClFN3O/c1-7-11(15-2)16-6-17-12(7)18-8-3-4-9(13)10(14)5-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeyQIQWXMYZBQMAPC-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.41
Rot. Bonds3

About 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine

6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 82717800) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID82717800
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C12H11ClFN3O/c1-7-11(15-2)16-6-17-12(7)18-8-3-4-9(13)10(14)5-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeyQIQWXMYZBQMAPC-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864217
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
6-(4-chloro-3-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 82718447
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864099
6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80875455
4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
CID 55230242
6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
CID 82717490
3,5-dichloro-6-(3-fluoro-4-methylphenoxy)-N-methylpyridin-2-amine
CID 107171841
4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
CID 82716251
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine (CID 82717800) is 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Oc2ccc(Cl)c(F)c2)c1C.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is QIQWXMYZBQMAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-11(15-2)16-6-17-12(7)18-8-3-4-9(13)10(14)5-8/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine?
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 82717800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).