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

C5H5FN2O — CID 135618098

IUPAC4-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C5H5FN2O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKeyJVPCOZPIUCVMES-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.22
Rot. Bonds

About 4-fluoro-2-methyl-1H-pyrimidin-6-one

4-fluoro-2-methyl-1H-pyrimidin-6-one (PubChem CID 135618098) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-fluoro-2-methyl-1H-pyrimidin-6-one
PubChem CID135618098
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name4-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C5H5FN2O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKeyJVPCOZPIUCVMES-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 4-fluoro-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-fluoro-2-methyl-1H-pyrimidin-6-one (CID 135618098) is 4-fluoro-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-fluoro-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-fluoro-2-methyl-1H-pyrimidin-6-one is Cc1nc(F)cc(=O)[nH]1.
What is the InChIKey of 4-fluoro-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JVPCOZPIUCVMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H,7,8,9).
What are the key properties of 4-fluoro-2-methyl-1H-pyrimidin-6-one?
4-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 4-fluoro-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135618098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).