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

C22H25N7O2 — CID 122346335

IUPAC2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)n2)cc1
InChIInChI=1S/C22H25N7O2/c1-15-4-6-17(7-5-15)24-19-14-16(2)23-22(25-19)29-12-10-28(11-13-29)21(31)18-8-9-20(30)27(3)26-18/h4-9,14H,10-13H2,1-3H3,(H,23,24,25)
InChIKeyFEDIPAAYNLQLSH-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.89
Rot. Bonds4

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

2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 122346335) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one
PubChem CID122346335
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)n2)cc1
InChIInChI=1S/C22H25N7O2/c1-15-4-6-17(7-5-15)24-19-14-16(2)23-22(25-19)29-12-10-28(11-13-29)21(31)18-8-9-20(30)27(3)26-18/h4-9,14H,10-13H2,1-3H3,(H,23,24,25)
InChIKeyFEDIPAAYNLQLSH-UHFFFAOYSA-N
XLogP1.89
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-6-oxopyridazine-3-carboxamide
CID 122295615
1-[4-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122346475
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346390
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031954
[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122346460
2-methoxy-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031773
N-(4-fluorophenyl)-4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carboxamide
CID 22585337
2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122346449
[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122346612
(E)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122346340
(2S)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 41129335
1-[4-[4-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one (CID 122346335) is 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one is Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)n2)cc1.
What is the InChIKey of 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is FEDIPAAYNLQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-15-4-6-17(7-5-15)24-19-14-16(2)23-22(25-19)29-12-10-28(11-13-29)21(31)18-8-9-20(30)27(3)26-18/h4-9,14H,10-13H2,1-3H3,(H,23,24,25).
What are the key properties of 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 419.49 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 122346335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).