4H-pyrido[1,2-a]pyrimidine-2,3-dione

C8H6N2O2 — CID 23459858

IUPAC4H-pyrido[1,2-a]pyrimidine-2,3-dione
SMILESO=C1CN2C=CC=CC2=NC1=O
InChIInChI=1S/C8H6N2O2/c11-6-5-10-4-2-1-3-7(10)9-8(6)12/h1-4H,5H2
InChIKeyRJURQOGJQYMSDE-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.12
Rot. Bonds

About 4H-pyrido[1,2-a]pyrimidine-2,3-dione

4H-pyrido[1,2-a]pyrimidine-2,3-dione (PubChem CID 23459858) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 4H-pyrido[1,2-a]pyrimidine-2,3-dione.

Molecular Properties

Compound Name4H-pyrido[1,2-a]pyrimidine-2,3-dione
PubChem CID23459858
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name4H-pyrido[1,2-a]pyrimidine-2,3-dione
SMILESO=C1CN2C=CC=CC2=NC1=O
InChIInChI=1S/C8H6N2O2/c11-6-5-10-4-2-1-3-7(10)9-8(6)12/h1-4H,5H2
InChIKeyRJURQOGJQYMSDE-UHFFFAOYSA-N
XLogP-0.12
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[1,2-a]pyrimidine-2,3-dione?
The IUPAC name of 4H-pyrido[1,2-a]pyrimidine-2,3-dione (CID 23459858) is 4H-pyrido[1,2-a]pyrimidine-2,3-dione.
What is the SMILES notation for 4H-pyrido[1,2-a]pyrimidine-2,3-dione?
The canonical SMILES for 4H-pyrido[1,2-a]pyrimidine-2,3-dione is O=C1CN2C=CC=CC2=NC1=O.
What is the InChIKey of 4H-pyrido[1,2-a]pyrimidine-2,3-dione?
The InChIKey is RJURQOGJQYMSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-6-5-10-4-2-1-3-7(10)9-8(6)12/h1-4H,5H2.
What are the key properties of 4H-pyrido[1,2-a]pyrimidine-2,3-dione?
4H-pyrido[1,2-a]pyrimidine-2,3-dione has a molecular weight of 162.15 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[1,2-a]pyrimidine-2,3-dione is sourced from PubChem (CID 23459858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).