5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride

C5H6ClFN2O — CID 135743641

IUPAC5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc[nH]c(=O)c1F.Cl
InChIInChI=1S/C5H5FN2O.ClH/c1-3-4(6)5(9)8-2-7-3;/h2H,1H3,(H,7,8,9);1H
InChIKeyZWZJDGAMMFBXLR-UHFFFAOYSA-N
MW164.57 g/mol
LogP0.64
Rot. Bonds

About 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride

5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 135743641) has the molecular formula C5H6ClFN2O and a molecular weight of 164.57 g/mol. Its IUPAC name is 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID135743641
Molecular FormulaC5H6ClFN2O
Molecular Weight164.57 g/mol
Exact Mass164.02
IUPAC Name5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc[nH]c(=O)c1F.Cl
InChIInChI=1S/C5H5FN2O.ClH/c1-3-4(6)5(9)8-2-7-3;/h2H,1H3,(H,7,8,9);1H
InChIKeyZWZJDGAMMFBXLR-UHFFFAOYSA-N
XLogP0.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.57
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 135743641) is 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1nc[nH]c(=O)c1F.Cl.
What is the InChIKey of 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is ZWZJDGAMMFBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O.ClH/c1-3-4(6)5(9)8-2-7-3;/h2H,1H3,(H,7,8,9);1H.
What are the key properties of 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride?
5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 164.57 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 135743641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).