1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C12H11FN2O3 — CID 112598629

IUPAC1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1ccc(F)cc1-n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H11FN2O3/c1-6-3-4-8(13)5-9(6)15-11(17)7(2)10(16)14-12(15)18/h3-5,17H,1-2H3,(H,14,16,18)
InChIKeyYNRPUSCTVZLCGX-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.99
Rot. Bonds1

About 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112598629) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112598629
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1ccc(F)cc1-n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H11FN2O3/c1-6-3-4-8(13)5-9(6)15-11(17)7(2)10(16)14-12(15)18/h3-5,17H,1-2H3,(H,14,16,18)
InChIKeyYNRPUSCTVZLCGX-UHFFFAOYSA-N
XLogP0.99
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112598629) is 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1ccc(F)cc1-n1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is YNRPUSCTVZLCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-6-3-4-8(13)5-9(6)15-11(17)7(2)10(16)14-12(15)18/h3-5,17H,1-2H3,(H,14,16,18).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 250.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112598629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).