5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one

C13H13FN2O2 — CID 106521536

IUPAC5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one
SMILESCCCOc1ccccc1-c1[nH]c(=O)ncc1F
InChIInChI=1S/C13H13FN2O2/c1-2-7-18-11-6-4-3-5-9(11)12-10(14)8-15-13(17)16-12/h3-6,8H,2,7H2,1H3,(H,15,16,17)
InChIKeyREDYDYIFAMUQJK-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.36
Rot. Bonds4

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

5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 106521536) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one
PubChem CID106521536
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one
SMILESCCCOc1ccccc1-c1[nH]c(=O)ncc1F
InChIInChI=1S/C13H13FN2O2/c1-2-7-18-11-6-4-3-5-9(11)12-10(14)8-15-13(17)16-12/h3-6,8H,2,7H2,1H3,(H,15,16,17)
InChIKeyREDYDYIFAMUQJK-UHFFFAOYSA-N
XLogP2.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516713
5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521547
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 143044780
[5-(2-propoxyphenyl)-3-pyridinyl]methanamine
CID 113469771
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
1-(chloromethoxy)-2-propoxybenzene
CID 79530194

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one (CID 106521536) is 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one is CCCOc1ccccc1-c1[nH]c(=O)ncc1F.
What is the InChIKey of 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is REDYDYIFAMUQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-7-18-11-6-4-3-5-9(11)12-10(14)8-15-13(17)16-12/h3-6,8H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one?
5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 248.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106521536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).