1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione

C10H13FN2O3S — CID 24764165

IUPAC1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CS[C@H](CO)[C@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O3S/c1-5-2-13(10(16)12-9(5)15)6-4-17-7(3-14)8(6)11/h2,6-8,14H,3-4H2,1H3,(H,12,15,16)/t6-,7-,8+/m1/s1
InChIKeyDEFLSIRCGUZFBN-PRJMDXOYSA-N
MW260.29 g/mol
LogP-0.17
Rot. Bonds2

About 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione

1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 24764165) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione
PubChem CID24764165
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CS[C@H](CO)[C@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O3S/c1-5-2-13(10(16)12-9(5)15)6-4-17-7(3-14)8(6)11/h2,6-8,14H,3-4H2,1H3,(H,12,15,16)/t6-,7-,8+/m1/s1
InChIKeyDEFLSIRCGUZFBN-PRJMDXOYSA-N
XLogP-0.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-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 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione (CID 24764165) is 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2CS[C@H](CO)[C@H]2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is DEFLSIRCGUZFBN-PRJMDXOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-5-2-13(10(16)12-9(5)15)6-4-17-7(3-14)8(6)11/h2,6-8,14H,3-4H2,1H3,(H,12,15,16)/t6-,7-,8+/m1/s1.
What are the key properties of 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione?
1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 24764165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).