4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine

C12H11F2N3O — CID 80879463

IUPAC4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H11F2N3O/c1-7-3-11(17-12(15-2)16-7)18-10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H,15,16,17)
InChIKeyJORPBERIPGHTEP-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.90
Rot. Bonds3

About 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine

4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80879463) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
PubChem CID80879463
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H11F2N3O/c1-7-3-11(17-12(15-2)16-7)18-10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H,15,16,17)
InChIKeyJORPBERIPGHTEP-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine (CID 80879463) is 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Oc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is JORPBERIPGHTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-3-11(17-12(15-2)16-7)18-10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 251.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80879463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).