5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione

C8H6FN3O2 — CID 141273810

IUPAC5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1-c1ccc[nH]1
InChIInChI=1S/C8H6FN3O2/c9-5-4-11-8(14)12(7(5)13)6-2-1-3-10-6/h1-4,10H,(H,11,14)
InChIKeyAOEJNHDIYMSDCO-UHFFFAOYSA-N
MW195.15 g/mol
LogP-0.01
Rot. Bonds1

About 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 141273810) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID141273810
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1-c1ccc[nH]1
InChIInChI=1S/C8H6FN3O2/c9-5-4-11-8(14)12(7(5)13)6-2-1-3-10-6/h1-4,10H,(H,11,14)
InChIKeyAOEJNHDIYMSDCO-UHFFFAOYSA-N
XLogP-0.01
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrrolo[2,3-d]pyrimidin-2(3H)-one
CID 24888096
1,7-Dihydro-6H-pyrrolo(2,3-b)pyridin-6-one
CID 11528350
Pyrrolo[1,2-a]pyrimidinone
CID 18619702
N-(1H-pyrrol-2-yl)formamide
CID 54492709
7-(1H-pyrrol-2-yl)-7-azabicyclo[4.1.0]hepta-1(6),3-diene-2,5-dione
CID 56618627
1H-pyrrol-2-ylcarbamic acid
CID 57129797
Acetylaminoazole
CID 57140748
Ureidopyrrole
CID 68657670
Pyrrolyl-pyrrolidinone
CID 70434181
4-fluoro-1H-pyrrolo[2,3-b]pyridin-6-ol
CID 53412864
1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one
CID 141162912
N-azolyl-3-oxobutanamide
CID 115176190

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione (CID 141273810) is 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(F)c(=O)n1-c1ccc[nH]1.
What is the InChIKey of 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is AOEJNHDIYMSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c9-5-4-11-8(14)12(7(5)13)6-2-1-3-10-6/h1-4,10H,(H,11,14).
What are the key properties of 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 195.15 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 141273810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).