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

C11H13FN2O3 — CID 5278749

IUPAC1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@H](CO)C=C2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O3/c1-6-4-14(11(17)13-10(6)16)9-3-7(5-15)2-8(9)12/h2,4,7,9,15H,3,5H2,1H3,(H,13,16,17)/t7-,9-/m0/s1
InChIKeyOQXBCOVQEAORFZ-CBAPKCEASA-N
MW240.23 g/mol
LogP0.25
Rot. Bonds2

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

1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 5278749) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
PubChem CID5278749
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@H](CO)C=C2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O3/c1-6-4-14(11(17)13-10(6)16)9-3-7(5-15)2-8(9)12/h2,4,7,9,15H,3,5H2,1H3,(H,13,16,17)/t7-,9-/m0/s1
InChIKeyOQXBCOVQEAORFZ-CBAPKCEASA-N
XLogP0.25
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-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-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione (CID 5278749) is 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@@H](CO)C=C2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is OQXBCOVQEAORFZ-CBAPKCEASA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-6-4-14(11(17)13-10(6)16)9-3-7(5-15)2-8(9)12/h2,4,7,9,15H,3,5H2,1H3,(H,13,16,17)/t7-,9-/m0/s1.
What are the key properties of 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 240.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5278749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).