1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione

C9H11FN2O3 — CID 3011513

IUPAC1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C[C@]2(F)C[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C9H11FN2O3/c10-9(3-6(9)4-13)5-12-2-1-7(14)11-8(12)15/h1-2,6,13H,3-5H2,(H,11,14,15)/t6-,9+/m0/s1
InChIKeyNWEAOYOQKALRIO-IMTBSYHQSA-N
MW214.20 g/mol
LogP-0.74
Rot. Bonds3

About 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione

1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione (PubChem CID 3011513) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione
PubChem CID3011513
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C[C@]2(F)C[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C9H11FN2O3/c10-9(3-6(9)4-13)5-12-2-1-7(14)11-8(12)15/h1-2,6,13H,3-5H2,(H,11,14,15)/t6-,9+/m0/s1
InChIKeyNWEAOYOQKALRIO-IMTBSYHQSA-N
XLogP-0.74
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]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 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione (CID 3011513) is 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione is O=c1ccn(C[C@]2(F)C[C@H]2CO)c(=O)[nH]1.
What is the InChIKey of 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione?
The InChIKey is NWEAOYOQKALRIO-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H11FN2O3/c10-9(3-6(9)4-13)5-12-2-1-7(14)11-8(12)15/h1-2,6,13H,3-5H2,(H,11,14,15)/t6-,9+/m0/s1.
What are the key properties of 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione?
1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione has a molecular weight of 214.20 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3011513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).