3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione

C13H13FN2O2 — CID 22982538

IUPAC3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(C)n(C)c2=O)c(F)c1
InChIInChI=1S/C13H13FN2O2/c1-8-4-5-11(10(14)6-8)16-12(17)7-9(2)15(3)13(16)18/h4-7H,1-3H3
InChIKeyYVLOFDFZDXXACD-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.29
Rot. Bonds1

About 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione

3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 22982538) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione
PubChem CID22982538
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(C)n(C)c2=O)c(F)c1
InChIInChI=1S/C13H13FN2O2/c1-8-4-5-11(10(14)6-8)16-12(17)7-9(2)15(3)13(16)18/h4-7H,1-3H3
InChIKeyYVLOFDFZDXXACD-UHFFFAOYSA-N
XLogP1.29
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione (CID 22982538) is 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione is Cc1ccc(-n2c(=O)cc(C)n(C)c2=O)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is YVLOFDFZDXXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-4-5-11(10(14)6-8)16-12(17)7-9(2)15(3)13(16)18/h4-7H,1-3H3.
What are the key properties of 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione?
3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione has a molecular weight of 248.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 22982538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).