1-pyrrol-1-ylpyrimidine-2,4-dione

C8H7N3O2 — CID 174941704

IUPAC1-pyrrol-1-ylpyrimidine-2,4-dione
SMILESO=c1ccn(-n2cccc2)c(=O)[nH]1
InChIInChI=1S/C8H7N3O2/c12-7-3-6-11(8(13)9-7)10-4-1-2-5-10/h1-6H,(H,9,12,13)
InChIKeyLKGPIIOLTMXHTN-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.35
Rot. Bonds1

About 1-pyrrol-1-ylpyrimidine-2,4-dione

1-pyrrol-1-ylpyrimidine-2,4-dione (PubChem CID 174941704) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-pyrrol-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-pyrrol-1-ylpyrimidine-2,4-dione
PubChem CID174941704
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1-pyrrol-1-ylpyrimidine-2,4-dione
SMILESO=c1ccn(-n2cccc2)c(=O)[nH]1
InChIInChI=1S/C8H7N3O2/c12-7-3-6-11(8(13)9-7)10-4-1-2-5-10/h1-6H,(H,9,12,13)
InChIKeyLKGPIIOLTMXHTN-UHFFFAOYSA-N
XLogP-0.35
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyrrol-1-ylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromopyrimidine-2,4-dione
CID 18634533
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-pyrrol-1-ylpyridin-2-one
CID 3629150
1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione
CID 170355679
1-hydrazinylpyrimidine-2,4-dione
CID 57419744
(2,4-dioxopyrimidin-1-yl) thiohypoiodite
CID 23446998
1-(methylamino)pyrimidine-2,4-dione
CID 68682640
2,4-dioxopyrimidine-1-carboxylic acid;zinc
CID 174838815
2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
CID 66599108
2,4-dioxopyrimidine-1-carboxamide
CID 54056435

Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-ylpyrimidine-2,4-dione?
The IUPAC name of 1-pyrrol-1-ylpyrimidine-2,4-dione (CID 174941704) is 1-pyrrol-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-pyrrol-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-pyrrol-1-ylpyrimidine-2,4-dione is O=c1ccn(-n2cccc2)c(=O)[nH]1.
What is the InChIKey of 1-pyrrol-1-ylpyrimidine-2,4-dione?
The InChIKey is LKGPIIOLTMXHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-7-3-6-11(8(13)9-7)10-4-1-2-5-10/h1-6H,(H,9,12,13).
What are the key properties of 1-pyrrol-1-ylpyrimidine-2,4-dione?
1-pyrrol-1-ylpyrimidine-2,4-dione has a molecular weight of 177.16 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 174941704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).