4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde

C15H10N2O2 — CID 134156203

IUPAC4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C15H10N2O2/c18-10-11-4-6-12(7-5-11)13-9-15(19)17-8-2-1-3-14(17)16-13/h1-10H
InChIKeyXFMWVGZCJZVTMS-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.17
Rot. Bonds2

About 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde

4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde (PubChem CID 134156203) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde
PubChem CID134156203
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C15H10N2O2/c18-10-11-4-6-12(7-5-11)13-9-15(19)17-8-2-1-3-14(17)16-13/h1-10H
InChIKeyXFMWVGZCJZVTMS-UHFFFAOYSA-N
XLogP2.17
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 377423
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906
2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291529
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-diphenyl-
CID 12235379
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-4-(trifluoromethyl)benzamide
CID 16030259
3-(4-Methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122203481
7-Methyl-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 377422
3-Benzoylpyrido[1,2-a]pyrimidin-4-one
CID 2819120
4-methyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030249
N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 935355
N-(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6493366

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde?
The IUPAC name of 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde (CID 134156203) is 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde.
What is the SMILES notation for 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde?
The canonical SMILES for 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde is O=Cc1ccc(-c2cc(=O)n3ccccc3n2)cc1.
What is the InChIKey of 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde?
The InChIKey is XFMWVGZCJZVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-10-11-4-6-12(7-5-11)13-9-15(19)17-8-2-1-3-14(17)16-13/h1-10H.
What are the key properties of 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde?
4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde has a molecular weight of 250.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde is sourced from PubChem (CID 134156203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).