6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine

C13H14FN3O — CID 80876876

IUPAC6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCc2ccccc2F)n1
InChIInChI=1S/C13H14FN3O/c1-8-12(15)16-9(2)17-13(8)18-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyVTVHVAZUKFMTGF-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.39
Rot. Bonds3

About 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine

6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine (PubChem CID 80876876) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine
PubChem CID80876876
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCc2ccccc2F)n1
InChIInChI=1S/C13H14FN3O/c1-8-12(15)16-9(2)17-13(8)18-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyVTVHVAZUKFMTGF-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine (CID 80876876) is 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(OCc2ccccc2F)n1.
What is the InChIKey of 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine?
The InChIKey is VTVHVAZUKFMTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-12(15)16-9(2)17-13(8)18-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine?
6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine has a molecular weight of 247.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80876876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).