1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one

C14H16FN3O — CID 63289754

IUPAC1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2ccc(F)cc2CN)c(=O)n1
InChIInChI=1S/C14H16FN3O/c1-9-5-10(2)18(14(19)17-9)8-11-3-4-13(15)6-12(11)7-16/h3-6H,7-8,16H2,1-2H3
InChIKeyQXUIBRGWZPLWMZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.51
Rot. Bonds3

About 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one

1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 63289754) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one
PubChem CID63289754
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2ccc(F)cc2CN)c(=O)n1
InChIInChI=1S/C14H16FN3O/c1-9-5-10(2)18(14(19)17-9)8-11-3-4-13(15)6-12(11)7-16/h3-6H,7-8,16H2,1-2H3
InChIKeyQXUIBRGWZPLWMZ-UHFFFAOYSA-N
XLogP1.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one (CID 63289754) is 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(Cc2ccc(F)cc2CN)c(=O)n1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is QXUIBRGWZPLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-5-10(2)18(14(19)17-9)8-11-3-4-13(15)6-12(11)7-16/h3-6H,7-8,16H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one?
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 261.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 63289754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).