5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one

C4H5FN2O2 — CID 53316422

IUPAC5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
SMILESO=C1NC(O)NC=C1F
InChIInChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,4,6,9H,(H,7,8)
InChIKeyYGJZKFBVKWZXJU-UHFFFAOYSA-N
MW132.09 g/mol
LogP-1.21
Rot. Bonds

About 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one

5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 53316422) has the molecular formula C4H5FN2O2 and a molecular weight of 132.09 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
PubChem CID53316422
Molecular FormulaC4H5FN2O2
Molecular Weight132.09 g/mol
Exact Mass132.03
IUPAC Name5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
SMILESO=C1NC(O)NC=C1F
InChIInChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,4,6,9H,(H,7,8)
InChIKeyYGJZKFBVKWZXJU-UHFFFAOYSA-N
XLogP-1.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-Fluorouracil-2,2,2-trifluoroethanol (1/1)
CID 91990152
5-Fluorouracil water
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1-(Dihydroxymethyl)-5-fluoropyrimidine-2,4-dione
CID 18792846
5-fluoro-3-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
CID 45090719
3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 69457467
3-Tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 146210252
5-Fluoro-2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one
CID 156393813
5-fluoro-2-methoxy-2,3-dihydro-1H-pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one (CID 53316422) is 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one is O=C1NC(O)NC=C1F.
What is the InChIKey of 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is YGJZKFBVKWZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,4,6,9H,(H,7,8).
What are the key properties of 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 132.09 g/mol, XLogP of -1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 53316422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).