2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

C22H25N7O2 — CID 122346449

IUPAC2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Cn4ncccc4=O)CC3)n2)cc1
InChIInChI=1S/C22H25N7O2/c1-16-5-7-18(8-6-16)25-19-14-17(2)24-22(26-19)28-12-10-27(11-13-28)21(31)15-29-20(30)4-3-9-23-29/h3-9,14H,10-13,15H2,1-2H3,(H,24,25,26)
InChIKeyNVIRWWWGKXEKPD-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.74
Rot. Bonds5

About 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 122346449) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID122346449
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Cn4ncccc4=O)CC3)n2)cc1
InChIInChI=1S/C22H25N7O2/c1-16-5-7-18(8-6-16)25-19-14-17(2)24-22(26-19)28-12-10-27(11-13-28)21(31)15-29-20(30)4-3-9-23-29/h3-9,14H,10-13,15H2,1-2H3,(H,24,25,26)
InChIKeyNVIRWWWGKXEKPD-UHFFFAOYSA-N
XLogP1.74
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one with MolForge

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Related Compounds

1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 27505671
2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122339823
2-methoxy-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031773
2-[2-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122346610
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122325125
1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 122346416
1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122346686
2-(2-fluorophenoxy)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 122346354
2-(2,4-dichlorophenoxy)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031951
(2S)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 41129335
2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 122346335
1-[4-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122346475

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 122346449) is 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Cn4ncccc4=O)CC3)n2)cc1.
What is the InChIKey of 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is NVIRWWWGKXEKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-16-5-7-18(8-6-16)25-19-14-17(2)24-22(26-19)28-12-10-27(11-13-28)21(31)15-29-20(30)4-3-9-23-29/h3-9,14H,10-13,15H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 419.49 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122346449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).