6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine

C12H11F2N3O — CID 80862793

IUPAC6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(F)cc2F)ncn1
InChIInChI=1S/C12H11F2N3O/c1-2-15-11-6-12(17-7-16-11)18-10-4-3-8(13)5-9(10)14/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyIHVGDWQRWHZQFS-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.98
Rot. Bonds4

About 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine

6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 80862793) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
PubChem CID80862793
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(F)cc2F)ncn1
InChIInChI=1S/C12H11F2N3O/c1-2-15-11-6-12(17-7-16-11)18-10-4-3-8(13)5-9(10)14/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyIHVGDWQRWHZQFS-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
CID 80862951
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80881551
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 103484581
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(2-tert-butyl-5-methylphenoxy)-N-ethylpyrimidin-4-amine
CID 80864924
1-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]azepane
CID 83289257
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine (CID 80862793) is 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2ccc(F)cc2F)ncn1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is IHVGDWQRWHZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-2-15-11-6-12(17-7-16-11)18-10-4-3-8(13)5-9(10)14/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine?
6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 251.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80862793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).