5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione

C12H13FN2O3S — CID 112599712

IUPAC5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione
SMILESCC(C)C(c1cccs1)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H13FN2O3S/c1-6(2)9(7-4-3-5-19-7)15-11(17)8(13)10(16)14-12(15)18/h3-6,9,17H,1-2H3,(H,14,16,18)
InChIKeyDQMAMMGEIVYYGE-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.69
Rot. Bonds3

About 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione (PubChem CID 112599712) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione
PubChem CID112599712
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione
SMILESCC(C)C(c1cccs1)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H13FN2O3S/c1-6(2)9(7-4-3-5-19-7)15-11(17)8(13)10(16)14-12(15)18/h3-6,9,17H,1-2H3,(H,14,16,18)
InChIKeyDQMAMMGEIVYYGE-UHFFFAOYSA-N
XLogP1.69
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione (CID 112599712) is 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione is CC(C)C(c1cccs1)n1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione?
The InChIKey is DQMAMMGEIVYYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-6(2)9(7-4-3-5-19-7)15-11(17)8(13)10(16)14-12(15)18/h3-6,9,17H,1-2H3,(H,14,16,18).
What are the key properties of 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione has a molecular weight of 284.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).