1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione

C10H11FN2O3 — CID 169190342

IUPAC1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione
SMILESC=C1CC(F)C(n2cc(C)c(=O)[nH]c2=O)O1
InChIInChI=1S/C10H11FN2O3/c1-5-4-13(10(15)12-8(5)14)9-7(11)3-6(2)16-9/h4,7,9H,2-3H2,1H3,(H,12,14,15)
InChIKeyJMHPRXCBTXUXMZ-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.62
Rot. Bonds1

About 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione

1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione (PubChem CID 169190342) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione
PubChem CID169190342
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione
SMILESC=C1CC(F)C(n2cc(C)c(=O)[nH]c2=O)O1
InChIInChI=1S/C10H11FN2O3/c1-5-4-13(10(15)12-8(5)14)9-7(11)3-6(2)16-9/h4,7,9H,2-3H2,1H3,(H,12,14,15)
InChIKeyJMHPRXCBTXUXMZ-UHFFFAOYSA-N
XLogP0.62
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chloromethane;1-[(3S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190487
5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 102041523
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 163416310
1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
(2S,3R,4S,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 174114387
1-[(2R,3R,4R)-3-amino-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139122475
1-[(2R,4S)-4-fluoro-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90996877
1-[(4R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134356951

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione (CID 169190342) is 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione is C=C1CC(F)C(n2cc(C)c(=O)[nH]c2=O)O1.
What is the InChIKey of 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione?
The InChIKey is JMHPRXCBTXUXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-5-4-13(10(15)12-8(5)14)9-7(11)3-6(2)16-9/h4,7,9H,2-3H2,1H3,(H,12,14,15).
What are the key properties of 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione?
1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione has a molecular weight of 226.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 169190342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).