5-fluoro-2-methyl-1H-pyrimidin-6-one

C5H5FN2O — CID 45080525

IUPAC5-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O/c1-3-7-2-4(6)5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKeyDMTSFVIMARJLRP-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.22
Rot. Bonds

About 5-fluoro-2-methyl-1H-pyrimidin-6-one

5-fluoro-2-methyl-1H-pyrimidin-6-one (PubChem CID 45080525) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-methyl-1H-pyrimidin-6-one
PubChem CID45080525
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name5-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O/c1-3-7-2-4(6)5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKeyDMTSFVIMARJLRP-UHFFFAOYSA-N
XLogP0.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-methyl-1H-pyrimidin-6-one (CID 45080525) is 5-fluoro-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-methyl-1H-pyrimidin-6-one is Cc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DMTSFVIMARJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c1-3-7-2-4(6)5(9)8-3/h2H,1H3,(H,7,8,9).
What are the key properties of 5-fluoro-2-methyl-1H-pyrimidin-6-one?
5-fluoro-2-methyl-1H-pyrimidin-6-one has a molecular weight of 128.11 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 45080525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).