5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione

C7H9FN2O3 — CID 141288156

IUPAC5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione
SMILESCCC(O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C7H9FN2O3/c1-2-5(11)10-6(12)4(8)3-9-7(10)13/h3,5,11H,2H2,1H3,(H,9,13)
InChIKeyBXCOJGJIWKXLGW-UHFFFAOYSA-N
MW188.16 g/mol
LogP-0.42
Rot. Bonds2

About 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione (PubChem CID 141288156) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione
PubChem CID141288156
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione
SMILESCCC(O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C7H9FN2O3/c1-2-5(11)10-6(12)4(8)3-9-7(10)13/h3,5,11H,2H2,1H3,(H,9,13)
InChIKeyBXCOJGJIWKXLGW-UHFFFAOYSA-N
XLogP-0.42
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione (CID 141288156) is 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione is CCC(O)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is BXCOJGJIWKXLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-2-5(11)10-6(12)4(8)3-9-7(10)13/h3,5,11H,2H2,1H3,(H,9,13).
What are the key properties of 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 188.16 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 141288156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).