6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione

C8H11FN2O3 — CID 11469738

IUPAC6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CC(F)CO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-4-6(2-5(9)3-12)10-8(14)11-7(4)13/h5,12H,2-3H2,1H3,(H2,10,11,13,14)
InChIKeyHNZFIVUDTGESIT-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.76
Rot. Bonds3

About 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione

6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 11469738) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID11469738
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CC(F)CO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-4-6(2-5(9)3-12)10-8(14)11-7(4)13/h5,12H,2-3H2,1H3,(H2,10,11,13,14)
InChIKeyHNZFIVUDTGESIT-UHFFFAOYSA-N
XLogP-0.76
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-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 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 11469738) is 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(CC(F)CO)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is HNZFIVUDTGESIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-4-6(2-5(9)3-12)10-8(14)11-7(4)13/h5,12H,2-3H2,1H3,(H2,10,11,13,14).
What are the key properties of 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11469738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).