4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide

C15H12N4O2 — CID 18891669

IUPAC4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc3ncccn3c2=O)cc1
InChIInChI=1S/C15H12N4O2/c1-10-3-5-11(6-4-10)13(20)18-12-9-17-15-16-7-2-8-19(15)14(12)21/h2-9H,1H3,(H,18,20)
InChIKeyGLWLZKYJTHOMML-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.65
Rot. Bonds2

About 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide

4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 18891669) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID18891669
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc3ncccn3c2=O)cc1
InChIInChI=1S/C15H12N4O2/c1-10-3-5-11(6-4-10)13(20)18-12-9-17-15-16-7-2-8-19(15)14(12)21/h2-9H,1H3,(H,18,20)
InChIKeyGLWLZKYJTHOMML-UHFFFAOYSA-N
XLogP1.65
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300415
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6457996
N-(5-acetyl-2-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618449
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300421
N-(2-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300467
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
N-(2,4-difluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300473
N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300450
N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
CID 22587648
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide (CID 18891669) is 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide is Cc1ccc(C(=O)Nc2cnc3ncccn3c2=O)cc1.
What is the InChIKey of 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is GLWLZKYJTHOMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-3-5-11(6-4-10)13(20)18-12-9-17-15-16-7-2-8-19(15)14(12)21/h2-9H,1H3,(H,18,20).
What are the key properties of 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide?
4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide has a molecular weight of 280.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 18891669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).