2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C12H11FN2O3 — CID 107922599

IUPAC2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(-c2nc(O)c(C)c(=O)[nH]2)ccc1F
InChIInChI=1S/C12H11FN2O3/c1-6-11(16)14-10(15-12(6)17)7-3-4-8(13)9(5-7)18-2/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyWNDMWDVHOZPHOD-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.60
Rot. Bonds2

About 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 107922599) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID107922599
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(-c2nc(O)c(C)c(=O)[nH]2)ccc1F
InChIInChI=1S/C12H11FN2O3/c1-6-11(16)14-10(15-12(6)17)7-3-4-8(13)9(5-7)18-2/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyWNDMWDVHOZPHOD-UHFFFAOYSA-N
XLogP1.60
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135478115
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CID 135419018
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CID 2712193
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CID 12535855
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CID 118725942
CID 118725942
CID 135458495
CID 135458495
CID 135841601
CID 135841601
CID 145979747
CID 145979747
CID 12535856
CID 12535856
CID 136086637
CID 136086637
CID 136177848
CID 136177848
CID 135919724
CID 135919724

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 107922599) is 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is COc1cc(-c2nc(O)c(C)c(=O)[nH]2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is WNDMWDVHOZPHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-6-11(16)14-10(15-12(6)17)7-3-4-8(13)9(5-7)18-2/h3-5H,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 250.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 107922599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).