6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one

C22H26N6O2 — CID 2035383

IUPAC6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCc1ccc(N2NC(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)=CCC2=O)cc1
InChIInChI=1S/C22H26N6O2/c1-15-4-6-18(7-5-15)28-20(29)9-8-19(25-28)21(30)26-10-12-27(13-11-26)22-23-16(2)14-17(3)24-22/h4-8,14,25H,9-13H2,1-3H3
InChIKeyYLPNISVNBHDHOQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.88
Rot. Bonds3

About 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one

6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one (PubChem CID 2035383) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
PubChem CID2035383
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCc1ccc(N2NC(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)=CCC2=O)cc1
InChIInChI=1S/C22H26N6O2/c1-15-4-6-18(7-5-15)28-20(29)9-8-19(25-28)21(30)26-10-12-27(13-11-26)22-23-16(2)14-17(3)24-22/h4-8,14,25H,9-13H2,1-3H3
InChIKeyYLPNISVNBHDHOQ-UHFFFAOYSA-N
XLogP1.88
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2008524
6-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002838
6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2013733
2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2018085
6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2028193
2-(3-methylphenyl)-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2007460
6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2010571
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
2-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2017874
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3292486
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2118213

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one (CID 2035383) is 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one is Cc1ccc(N2NC(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)=CCC2=O)cc1.
What is the InChIKey of 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one?
The InChIKey is YLPNISVNBHDHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-4-6-18(7-5-15)28-20(29)9-8-19(25-28)21(30)26-10-12-27(13-11-26)22-23-16(2)14-17(3)24-22/h4-8,14,25H,9-13H2,1-3H3.
What are the key properties of 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one?
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one has a molecular weight of 406.49 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2035383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).