2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione

C14H10N2O2 — CID 23625670

IUPAC2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESO=c1cccc2[nH]c(-c3ccccc3)cc(=O)n12
InChIInChI=1S/C14H10N2O2/c17-13-8-4-7-12-15-11(9-14(18)16(12)13)10-5-2-1-3-6-10/h1-9,15H
InChIKeyFJEXOBDOBDJJQJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.65
Rot. Bonds1

About 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione

2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione (PubChem CID 23625670) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione
PubChem CID23625670
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESO=c1cccc2[nH]c(-c3ccccc3)cc(=O)n12
InChIInChI=1S/C14H10N2O2/c17-13-8-4-7-12-15-11(9-14(18)16(12)13)10-5-2-1-3-6-10/h1-9,15H
InChIKeyFJEXOBDOBDJJQJ-UHFFFAOYSA-N
XLogP1.65
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The IUPAC name of 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione (CID 23625670) is 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione.
What is the SMILES notation for 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The canonical SMILES for 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione is O=c1cccc2[nH]c(-c3ccccc3)cc(=O)n12.
What is the InChIKey of 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The InChIKey is FJEXOBDOBDJJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13-8-4-7-12-15-11(9-14(18)16(12)13)10-5-2-1-3-6-10/h1-9,15H.
What are the key properties of 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione has a molecular weight of 238.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-pyrido[1,2-a]pyrimidine-4,6-dione is sourced from PubChem (CID 23625670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).