5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione

C9H11FN2O3 — CID 13061626

IUPAC5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESCn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C9H11FN2O3/c1-11-8(13)6(10)5-12(9(11)14)7-3-2-4-15-7/h5,7H,2-4H2,1H3
InChIKeyCISSBGZOKGGEAQ-UHFFFAOYSA-N
MW214.20 g/mol
LogP-0.00
Rot. Bonds1

About 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione

5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 13061626) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID13061626
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESCn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C9H11FN2O3/c1-11-8(13)6(10)5-12(9(11)14)7-3-2-4-15-7/h5,7H,2-4H2,1H3
InChIKeyCISSBGZOKGGEAQ-UHFFFAOYSA-N
XLogP-0.00
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 13061626) is 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione is Cn1c(=O)c(F)cn(C2CCCO2)c1=O.
What is the InChIKey of 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is CISSBGZOKGGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-11-8(13)6(10)5-12(9(11)14)7-3-2-4-15-7/h5,7H,2-4H2,1H3.
What are the key properties of 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 214.20 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 13061626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).