1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one

C13H14FN3O — CID 63289220

IUPAC1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(Cc2ccc(F)cc2CN)c1
InChIInChI=1S/C13H14FN3O/c1-9-6-16-13(18)17(7-9)8-10-2-3-12(14)4-11(10)5-15/h2-4,6-7H,5,8,15H2,1H3
InChIKeyBSQDGPJNXGBCFZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.20
Rot. Bonds3

About 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one

1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one (PubChem CID 63289220) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one
PubChem CID63289220
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(Cc2ccc(F)cc2CN)c1
InChIInChI=1S/C13H14FN3O/c1-9-6-16-13(18)17(7-9)8-10-2-3-12(14)4-11(10)5-15/h2-4,6-7H,5,8,15H2,1H3
InChIKeyBSQDGPJNXGBCFZ-UHFFFAOYSA-N
XLogP1.20
TPSA60.91 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]-5-methylpyrimidin-2-one
CID 63206092
1-[(2-amino-4-chlorophenyl)methyl]-5-methylpyrimidin-2-one
CID 63206023
3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 64764830
3-[[2-(aminomethyl)-4-fluorophenyl]methyl]pyrimidin-4-one
CID 63769343
2-[[2-(aminomethyl)-4-fluorophenyl]methyl]-6-methylpyridazin-3-one
CID 63289759
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
CID 55164000
1-[2-[2-(aminomethyl)phenoxy]ethyl]-5-methylpyrimidin-2-one
CID 63206169
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
CID 80579438
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid
CID 63206349
N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
CID 63205828
1-[(4-iodophenyl)methyl]-5-methylpyrimidin-2-one
CID 65489922

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one (CID 63289220) is 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(Cc2ccc(F)cc2CN)c1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one?
The InChIKey is BSQDGPJNXGBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-6-16-13(18)17(7-9)8-10-2-3-12(14)4-11(10)5-15/h2-4,6-7H,5,8,15H2,1H3.
What are the key properties of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one?
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-5-methylpyrimidin-2-one has a molecular weight of 247.27 g/mol, XLogP of 1.20, 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]-5-methylpyrimidin-2-one is sourced from PubChem (CID 63289220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).