5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol

C10H17FN2O5 — CID 163233171

IUPAC5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol
SMILESCO.Cn1cc(F)c(=O)[nH]c1=O.OC1CCOC1
InChIInChI=1S/C5H5FN2O2.C4H8O2.CH4O/c1-8-2-3(6)4(9)7-5(8)10;5-4-1-2-6-3-4;1-2/h2H,1H3,(H,7,9,10);4-5H,1-3H2;2H,1H3
InChIKeyPOWUPYMHRNCHHU-UHFFFAOYSA-N
MW264.25 g/mol
LogP-1.41
Rot. Bonds

About 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol

5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol (PubChem CID 163233171) has the molecular formula C10H17FN2O5 and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol.

Molecular Properties

Compound Name5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol
PubChem CID163233171
Molecular FormulaC10H17FN2O5
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol
SMILESCO.Cn1cc(F)c(=O)[nH]c1=O.OC1CCOC1
InChIInChI=1S/C5H5FN2O2.C4H8O2.CH4O/c1-8-2-3(6)4(9)7-5(8)10;5-4-1-2-6-3-4;1-2/h2H,1H3,(H,7,9,10);4-5H,1-3H2;2H,1H3
InChIKeyPOWUPYMHRNCHHU-UHFFFAOYSA-N
XLogP-1.41
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol?
The IUPAC name of 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol (CID 163233171) is 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol.
What is the SMILES notation for 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol?
The canonical SMILES for 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol is CO.Cn1cc(F)c(=O)[nH]c1=O.OC1CCOC1.
What is the InChIKey of 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol?
The InChIKey is POWUPYMHRNCHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2.C4H8O2.CH4O/c1-8-2-3(6)4(9)7-5(8)10;5-4-1-2-6-3-4;1-2/h2H,1H3,(H,7,9,10);4-5H,1-3H2;2H,1H3.
What are the key properties of 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol?
5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol has a molecular weight of 264.25 g/mol, XLogP of -1.41, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol is sourced from PubChem (CID 163233171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).