5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione

C10H11FN2O3 — CID 5279521

IUPAC5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione
SMILESC=C1[C@H](CO)[C@H]1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H11FN2O3/c1-5-6(7(5)4-14)2-13-3-8(11)9(15)12-10(13)16/h3,6-7,14H,1-2,4H2,(H,12,15,16)/t6-,7-/m0/s1
InChIKeyWVKXKLHDHZBROA-BQBZGAKWSA-N
MW226.21 g/mol
LogP-0.53
Rot. Bonds3

About 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione

5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione (PubChem CID 5279521) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione
PubChem CID5279521
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione
SMILESC=C1[C@H](CO)[C@H]1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H11FN2O3/c1-5-6(7(5)4-14)2-13-3-8(11)9(15)12-10(13)16/h3,6-7,14H,1-2,4H2,(H,12,15,16)/t6-,7-/m0/s1
InChIKeyWVKXKLHDHZBROA-BQBZGAKWSA-N
XLogP-0.53
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione (CID 5279521) is 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione is C=C1[C@H](CO)[C@H]1Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione?
The InChIKey is WVKXKLHDHZBROA-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-5-6(7(5)4-14)2-13-3-8(11)9(15)12-10(13)16/h3,6-7,14H,1-2,4H2,(H,12,15,16)/t6-,7-/m0/s1.
What are the key properties of 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione has a molecular weight of 226.21 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 5279521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).