6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one

C12H11FN2O — CID 106516880

IUPAC6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one
SMILESCc1ccc(-c2[nH]c(=O)ncc2F)c(C)c1
InChIInChI=1S/C12H11FN2O/c1-7-3-4-9(8(2)5-7)11-10(13)6-14-12(16)15-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyKEMRRQODOCKIRF-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.19
Rot. Bonds1

About 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one

6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one (PubChem CID 106516880) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one
PubChem CID106516880
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one
SMILESCc1ccc(-c2[nH]c(=O)ncc2F)c(C)c1
InChIInChI=1S/C12H11FN2O/c1-7-3-4-9(8(2)5-7)11-10(13)6-14-12(16)15-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyKEMRRQODOCKIRF-UHFFFAOYSA-N
XLogP2.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one (CID 106516880) is 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one is Cc1ccc(-c2[nH]c(=O)ncc2F)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is KEMRRQODOCKIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-7-3-4-9(8(2)5-7)11-10(13)6-14-12(16)15-11/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one?
6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 218.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 106516880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).