5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

C12H11FN2O — CID 3072548

IUPAC5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C12H11FN2O/c1-8-4-2-3-5-9(8)6-11-14-7-10(13)12(16)15-11/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyWYJFPOIABCJEDI-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.81
Rot. Bonds2

About 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 3072548) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID3072548
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C12H11FN2O/c1-8-4-2-3-5-9(8)6-11-14-7-10(13)12(16)15-11/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyWYJFPOIABCJEDI-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (CID 3072548) is 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is Cc1ccccc1Cc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is WYJFPOIABCJEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-4-2-3-5-9(8)6-11-14-7-10(13)12(16)15-11/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 218.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 3072548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).