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

C11H10FN3O2 — CID 114585970

IUPAC4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one
SMILESNCc1ccc(Oc2cc(=O)[nH]cn2)cc1F
InChIInChI=1S/C11H10FN3O2/c12-9-3-8(2-1-7(9)5-13)17-11-4-10(16)14-6-15-11/h1-4,6H,5,13H2,(H,14,15,16)
InChIKeyPHOORSNSZDGIBP-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.16
Rot. Bonds3

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

4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one (PubChem CID 114585970) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one
PubChem CID114585970
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one
SMILESNCc1ccc(Oc2cc(=O)[nH]cn2)cc1F
InChIInChI=1S/C11H10FN3O2/c12-9-3-8(2-1-7(9)5-13)17-11-4-10(16)14-6-15-11/h1-4,6H,5,13H2,(H,14,15,16)
InChIKeyPHOORSNSZDGIBP-UHFFFAOYSA-N
XLogP1.16
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenoxy)-1H-pyrimidin-6-one
CID 103240916
4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
CID 103241207
4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
CID 103241999
4-(3-aminophenoxy)-1H-pyrimidin-6-one
CID 114578576
4-(4-phenylphenoxy)-1H-pyrimidin-6-one
CID 103240907
4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one
CID 103241277
4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one
CID 114578605
2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
CID 116820314
(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372967
5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585791
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
3-[4-(aminomethyl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524601

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one (CID 114585970) is 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one is NCc1ccc(Oc2cc(=O)[nH]cn2)cc1F.
What is the InChIKey of 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one?
The InChIKey is PHOORSNSZDGIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-9-3-8(2-1-7(9)5-13)17-11-4-10(16)14-6-15-11/h1-4,6H,5,13H2,(H,14,15,16).
What are the key properties of 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one?
4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one has a molecular weight of 235.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114585970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).