5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione

C12H9FN2O3 — CID 12690828

IUPAC5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1C(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C12H9FN2O3/c1-7-4-2-3-5-8(7)10(16)15-11(17)9(13)6-14-12(15)18/h2-6H,1H3,(H,14,18)
InChIKeyGWSICSYZXMCSNN-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.67
Rot. Bonds1

About 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione (PubChem CID 12690828) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione
PubChem CID12690828
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1C(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C12H9FN2O3/c1-7-4-2-3-5-8(7)10(16)15-11(17)9(13)6-14-12(15)18/h2-6H,1H3,(H,14,18)
InChIKeyGWSICSYZXMCSNN-UHFFFAOYSA-N
XLogP0.67
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione (CID 12690828) is 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione is Cc1ccccc1C(=O)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is GWSICSYZXMCSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-7-4-2-3-5-8(7)10(16)15-11(17)9(13)6-14-12(15)18/h2-6H,1H3,(H,14,18).
What are the key properties of 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 248.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-methylbenzoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12690828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).