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

C15H12N2O3 — CID 23625833

IUPAC2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESO=c1cccc2[nH]c(Cc3ccc(O)cc3)cc(=O)n12
InChIInChI=1S/C15H12N2O3/c18-12-6-4-10(5-7-12)8-11-9-15(20)17-13(16-11)2-1-3-14(17)19/h1-7,9,16,18H,8H2
InChIKeyGDDAXRLZKIPQGY-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.28
Rot. Bonds2

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

2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione (PubChem CID 23625833) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione
PubChem CID23625833
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESO=c1cccc2[nH]c(Cc3ccc(O)cc3)cc(=O)n12
InChIInChI=1S/C15H12N2O3/c18-12-6-4-10(5-7-12)8-11-9-15(20)17-13(16-11)2-1-3-14(17)19/h1-7,9,16,18H,8H2
InChIKeyGDDAXRLZKIPQGY-UHFFFAOYSA-N
XLogP1.28
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione (CID 23625833) is 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione is O=c1cccc2[nH]c(Cc3ccc(O)cc3)cc(=O)n12.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The InChIKey is GDDAXRLZKIPQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-12-6-4-10(5-7-12)8-11-9-15(20)17-13(16-11)2-1-3-14(17)19/h1-7,9,16,18H,8H2.
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione has a molecular weight of 268.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-1H-pyrido[1,2-a]pyrimidine-4,6-dione is sourced from PubChem (CID 23625833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).