4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine

C12H12FN3O — CID 1473021

IUPAC4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2nc(N)ncc2C)cc1F
InChIInChI=1S/C12H12FN3O/c1-7-6-15-12(14)16-11(7)8-3-4-10(17-2)9(13)5-8/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyVTEZOYAOWZOMQA-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.18
Rot. Bonds2

About 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine

4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine (PubChem CID 1473021) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine
PubChem CID1473021
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2nc(N)ncc2C)cc1F
InChIInChI=1S/C12H12FN3O/c1-7-6-15-12(14)16-11(7)8-3-4-10(17-2)9(13)5-8/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyVTEZOYAOWZOMQA-UHFFFAOYSA-N
XLogP2.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine (CID 1473021) is 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine is COc1ccc(-c2nc(N)ncc2C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine?
The InChIKey is VTEZOYAOWZOMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-6-15-12(14)16-11(7)8-3-4-10(17-2)9(13)5-8/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine?
4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 1473021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).