5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione

C7H9FN2O3 — CID 112598782

IUPAC5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN2O3/c1-3(2)10-6(12)4(8)5(11)9-7(10)13/h3,12H,1-2H3,(H,9,11,13)
InChIKeyAOEZMRSHQMRZRD-UHFFFAOYSA-N
MW188.16 g/mol
LogP-0.04
Rot. Bonds1

About 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 112598782) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione
PubChem CID112598782
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN2O3/c1-3(2)10-6(12)4(8)5(11)9-7(10)13/h3,12H,1-2H3,(H,9,11,13)
InChIKeyAOEZMRSHQMRZRD-UHFFFAOYSA-N
XLogP-0.04
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-N,N-dimethyl-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxamide
CID 12370700
5-Fluoro-1-propan-2-ylpyrimidine-2,4-dione
CID 20587518
6-fluoro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 68168553
6-Chloro-5-fluoro-3-isopropylpyrimidine-2,4(1H,3H)-dione
CID 104370623
6-Fluoro-1-propan-2-ylpyrimidine-2,4-dione
CID 118688660
6-chloro-5-fluoro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 124003386
5-fluoro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 141763323
6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
CID 144763322
1-Butan-2-yl-5-fluoropyrimidine-2,4-dione
CID 166964785
5-Fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 83872925
5-Fluoro-6-hydroxy-1-(4,4,4-trifluorobutan-2-yl)pyrimidine-2,4-dione
CID 105926822
6-Hydroxy-1-(4,4,4-trifluorobutan-2-yl)pyrimidine-2,4-dione
CID 105926829

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione (CID 112598782) is 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione is CC(C)n1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is AOEZMRSHQMRZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-3(2)10-6(12)4(8)5(11)9-7(10)13/h3,12H,1-2H3,(H,9,11,13).
What are the key properties of 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 188.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 112598782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).