4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one

C11H9FN2O2 — CID 136769276

IUPAC4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(F)cc1-c1cc(=O)[nH]cn1
InChIInChI=1S/C11H9FN2O2/c1-16-10-3-2-7(12)4-8(10)9-5-11(15)14-6-13-9/h2-6H,1H3,(H,13,14,15)
InChIKeyHAVAMPGGEIMXNU-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.58
Rot. Bonds2

About 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one

4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136769276) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136769276
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(F)cc1-c1cc(=O)[nH]cn1
InChIInChI=1S/C11H9FN2O2/c1-16-10-3-2-7(12)4-8(10)9-5-11(15)14-6-13-9/h2-6H,1H3,(H,13,14,15)
InChIKeyHAVAMPGGEIMXNU-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one (CID 136769276) is 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(F)cc1-c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is HAVAMPGGEIMXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-10-3-2-7(12)4-8(10)9-5-11(15)14-6-13-9/h2-6H,1H3,(H,13,14,15).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one?
4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 220.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).