2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

C23H24N4O2 — CID 10134871

IUPAC2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCc1ccc(C(=O)CN2c3nc(-c4ccncc4)cc(=O)n3CCC2(C)C)cc1
InChIInChI=1S/C23H24N4O2/c1-16-4-6-18(7-5-16)20(28)15-27-22-25-19(17-8-11-24-12-9-17)14-21(29)26(22)13-10-23(27,2)3/h4-9,11-12,14H,10,13,15H2,1-3H3
InChIKeyAECJSBDVFYGEIG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.49
Rot. Bonds4

About 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 10134871) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID10134871
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCc1ccc(C(=O)CN2c3nc(-c4ccncc4)cc(=O)n3CCC2(C)C)cc1
InChIInChI=1S/C23H24N4O2/c1-16-4-6-18(7-5-16)20(28)15-27-22-25-19(17-8-11-24-12-9-17)14-21(29)26(22)13-10-23(27,2)3/h4-9,11-12,14H,10,13,15H2,1-3H3
InChIKeyAECJSBDVFYGEIG-UHFFFAOYSA-N
XLogP3.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one
CID 69224916
1-[2-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethyl-8-pyrimidin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 68694588
1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one
CID 10001055
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-yl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 22268178
1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
CID 91289713
9-[2-(3-fluorophenyl)-2-oxoethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 22268189
1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one
CID 11752602
7,7-dimethyl-9-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10140890
1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 10272858
1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid
CID 69485485
3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 58900061
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048099

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (CID 10134871) is 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is Cc1ccc(C(=O)CN2c3nc(-c4ccncc4)cc(=O)n3CCC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is AECJSBDVFYGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-4-6-18(7-5-16)20(28)15-27-22-25-19(17-8-11-24-12-9-17)14-21(29)26(22)13-10-23(27,2)3/h4-9,11-12,14H,10,13,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 388.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 10134871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).