2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione

C14H10N2O3 — CID 23625831

IUPAC2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESO=c1cccc2[nH]c(-c3ccc(O)cc3)cc(=O)n12
InChIInChI=1S/C14H10N2O3/c17-10-6-4-9(5-7-10)11-8-14(19)16-12(15-11)2-1-3-13(16)18/h1-8,15,17H
InChIKeyOSESDIJCYLNYFQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.36
Rot. Bonds1

About 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione

2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione (PubChem CID 23625831) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione
PubChem CID23625831
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESO=c1cccc2[nH]c(-c3ccc(O)cc3)cc(=O)n12
InChIInChI=1S/C14H10N2O3/c17-10-6-4-9(5-7-10)11-8-14(19)16-12(15-11)2-1-3-13(16)18/h1-8,15,17H
InChIKeyOSESDIJCYLNYFQ-UHFFFAOYSA-N
XLogP1.36
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione (CID 23625831) is 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione is O=c1cccc2[nH]c(-c3ccc(O)cc3)cc(=O)n12.
What is the InChIKey of 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The InChIKey is OSESDIJCYLNYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-10-6-4-9(5-7-10)11-8-14(19)16-12(15-11)2-1-3-13(16)18/h1-8,15,17H.
What are the key properties of 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione has a molecular weight of 254.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione is sourced from PubChem (CID 23625831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).