4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine

C12H12FN3O — CID 80876879

IUPAC4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(OCc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O/c1-14-12-15-7-6-11(16-12)17-8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyVAMMGAHFOQQAOL-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.24
Rot. Bonds4

About 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine

4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine (PubChem CID 80876879) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
PubChem CID80876879
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(OCc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O/c1-14-12-15-7-6-11(16-12)17-8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyVAMMGAHFOQQAOL-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine (CID 80876879) is 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine is CNc1nccc(OCc2ccccc2F)n1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The InChIKey is VAMMGAHFOQQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-14-12-15-7-6-11(16-12)17-8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine?
4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80876879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).