1-(2-oxoimidazol-4-yl)pyrimidin-4-one

C7H4N4O2 — CID 91086452

IUPAC1-(2-oxoimidazol-4-yl)pyrimidin-4-one
SMILESO=C1N=CC(n2ccc(=O)nc2)=N1
InChIInChI=1S/C7H4N4O2/c12-6-1-2-11(4-9-6)5-3-8-7(13)10-5/h1-4H
InChIKeySXHOCKOPZGAYIN-UHFFFAOYSA-N
MW176.13 g/mol
LogP-0.31
Rot. Bonds

About 1-(2-oxoimidazol-4-yl)pyrimidin-4-one

1-(2-oxoimidazol-4-yl)pyrimidin-4-one (PubChem CID 91086452) has the molecular formula C7H4N4O2 and a molecular weight of 176.13 g/mol. Its IUPAC name is 1-(2-oxoimidazol-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-oxoimidazol-4-yl)pyrimidin-4-one
PubChem CID91086452
Molecular FormulaC7H4N4O2
Molecular Weight176.13 g/mol
Exact Mass176.03
IUPAC Name1-(2-oxoimidazol-4-yl)pyrimidin-4-one
SMILESO=C1N=CC(n2ccc(=O)nc2)=N1
InChIInChI=1S/C7H4N4O2/c12-6-1-2-11(4-9-6)5-3-8-7(13)10-5/h1-4H
InChIKeySXHOCKOPZGAYIN-UHFFFAOYSA-N
XLogP-0.31
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoimidazol-4-yl)pyrimidin-4-one?
The IUPAC name of 1-(2-oxoimidazol-4-yl)pyrimidin-4-one (CID 91086452) is 1-(2-oxoimidazol-4-yl)pyrimidin-4-one.
What is the SMILES notation for 1-(2-oxoimidazol-4-yl)pyrimidin-4-one?
The canonical SMILES for 1-(2-oxoimidazol-4-yl)pyrimidin-4-one is O=C1N=CC(n2ccc(=O)nc2)=N1.
What is the InChIKey of 1-(2-oxoimidazol-4-yl)pyrimidin-4-one?
The InChIKey is SXHOCKOPZGAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O2/c12-6-1-2-11(4-9-6)5-3-8-7(13)10-5/h1-4H.
What are the key properties of 1-(2-oxoimidazol-4-yl)pyrimidin-4-one?
1-(2-oxoimidazol-4-yl)pyrimidin-4-one has a molecular weight of 176.13 g/mol, XLogP of -0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoimidazol-4-yl)pyrimidin-4-one is sourced from PubChem (CID 91086452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).