4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one

C12H12FN3O2 — CID 114585940

IUPAC4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2cccc(F)c2CN)cc(=O)[nH]1
InChIInChI=1S/C12H12FN3O2/c1-7-15-11(17)5-12(16-7)18-10-4-2-3-9(13)8(10)6-14/h2-5H,6,14H2,1H3,(H,15,16,17)
InChIKeyNCGVKONRQYQTTR-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.47
Rot. Bonds3

About 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one

4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 114585940) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID114585940
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2cccc(F)c2CN)cc(=O)[nH]1
InChIInChI=1S/C12H12FN3O2/c1-7-15-11(17)5-12(16-7)18-10-4-2-3-9(13)8(10)6-14/h2-5H,6,14H2,1H3,(H,15,16,17)
InChIKeyNCGVKONRQYQTTR-UHFFFAOYSA-N
XLogP1.47
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585899
2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240999
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241071
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
[6-(2,3-difluorophenoxy)-2,4-dimethyl-3-pyridinyl]methanamine
CID 161169292
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114580959
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243
[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine
CID 114787502
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one (CID 114585940) is 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(Oc2cccc(F)c2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NCGVKONRQYQTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-15-11(17)5-12(16-7)18-10-4-2-3-9(13)8(10)6-14/h2-5H,6,14H2,1H3,(H,15,16,17).
What are the key properties of 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 249.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114585940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).