6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine

C12H11ClFN3O — CID 80876593

IUPAC6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(F)c(Cl)c2)nc(C)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-16-11(15-2)6-12(17-7)18-8-3-4-10(14)9(13)5-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeyRVQJAFDHBWCBAE-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.41
Rot. Bonds3

About 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine

6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80876593) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
PubChem CID80876593
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(F)c(Cl)c2)nc(C)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-16-11(15-2)6-12(17-7)18-8-3-4-10(14)9(13)5-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeyRVQJAFDHBWCBAE-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,2-dimethylpyrimidin-4-amine
CID 80863637
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
2-tert-butyl-6-(3-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965877
6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80876210
2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883406
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 82717617
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine
CID 80882204
N,2-dimethyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315911
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine (CID 80876593) is 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine is CNc1cc(Oc2ccc(F)c(Cl)c2)nc(C)n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is RVQJAFDHBWCBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-16-11(15-2)6-12(17-7)18-8-3-4-10(14)9(13)5-8/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine?
6-(3-chloro-4-fluorophenoxy)-N,2-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-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80876593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).