1H-pyrimidin-2-one;hydrofluoride

C4H5FN2O — CID 157323354

IUPAC1H-pyrimidin-2-one;hydrofluoride
SMILESF.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.FH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H
InChIKeyMFGSTZHCVAYQAN-UHFFFAOYSA-N
MW116.09 g/mol
LogP-0.08
Rot. Bonds

About 1H-pyrimidin-2-one;hydrofluoride

1H-pyrimidin-2-one;hydrofluoride (PubChem CID 157323354) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 1H-pyrimidin-2-one;hydrofluoride.

Molecular Properties

Compound Name1H-pyrimidin-2-one;hydrofluoride
PubChem CID157323354
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name1H-pyrimidin-2-one;hydrofluoride
SMILESF.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.FH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H
InChIKeyMFGSTZHCVAYQAN-UHFFFAOYSA-N
XLogP-0.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110691027
CID 57442291
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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidin-2-one;hydrofluoride?
The IUPAC name of 1H-pyrimidin-2-one;hydrofluoride (CID 157323354) is 1H-pyrimidin-2-one;hydrofluoride.
What is the SMILES notation for 1H-pyrimidin-2-one;hydrofluoride?
The canonical SMILES for 1H-pyrimidin-2-one;hydrofluoride is F.O=c1nccc[nH]1.
What is the InChIKey of 1H-pyrimidin-2-one;hydrofluoride?
The InChIKey is MFGSTZHCVAYQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.FH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H.
What are the key properties of 1H-pyrimidin-2-one;hydrofluoride?
1H-pyrimidin-2-one;hydrofluoride has a molecular weight of 116.09 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidin-2-one;hydrofluoride is sourced from PubChem (CID 157323354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).