5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione

C11H10FN3O3 — CID 55027813

IUPAC5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCn1ccc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C11H10FN3O3/c1-14-3-2-7(4-14)9(16)6-15-5-8(12)10(17)13-11(15)18/h2-5H,6H2,1H3,(H,13,17,18)
InChIKeyMYVGSNHTZBLHNM-UHFFFAOYSA-N
MW251.22 g/mol
LogP-0.10
Rot. Bonds3

About 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione

5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 55027813) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID55027813
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCn1ccc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C11H10FN3O3/c1-14-3-2-7(4-14)9(16)6-15-5-8(12)10(17)13-11(15)18/h2-5H,6H2,1H3,(H,13,17,18)
InChIKeyMYVGSNHTZBLHNM-UHFFFAOYSA-N
XLogP-0.10
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 55027813) is 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione is Cn1ccc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is MYVGSNHTZBLHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-14-3-2-7(4-14)9(16)6-15-5-8(12)10(17)13-11(15)18/h2-5H,6H2,1H3,(H,13,17,18).
What are the key properties of 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 251.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55027813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).