2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one

C21H28N8O — CID 126937088

IUPAC2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4ccnc(N(C)C)n4)CC3)n2)n1
InChIInChI=1S/C21H28N8O/c1-14-13-15(2)28(25-14)19-9-10-20(30)29(26-19)17-7-5-16(6-8-17)23-18-11-12-22-21(24-18)27(3)4/h9-13,16-17H,5-8H2,1-4H3,(H,22,23,24)
InChIKeyURKAOXWQQFLGGP-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one

2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one (PubChem CID 126937088) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
PubChem CID126937088
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4ccnc(N(C)C)n4)CC3)n2)n1
InChIInChI=1S/C21H28N8O/c1-14-13-15(2)28(25-14)19-9-10-20(30)29(26-19)17-7-5-16(6-8-17)23-18-11-12-22-21(24-18)27(3)4/h9-13,16-17H,5-8H2,1-4H3,(H,22,23,24)
InChIKeyURKAOXWQQFLGGP-UHFFFAOYSA-N
XLogP2.50
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one with MolForge

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Related Compounds

2-[4-(cyclobutylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937029
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one
CID 126937003
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936965
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one
CID 126937042
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126936999
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936973
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937040
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937133
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937030
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one
CID 126937014
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 126936914
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-methylfuran-2-yl)methylamino]cyclohexyl]pyridazin-3-one
CID 126937016

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one (CID 126937088) is 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4ccnc(N(C)C)n4)CC3)n2)n1.
What is the InChIKey of 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The InChIKey is URKAOXWQQFLGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O/c1-14-13-15(2)28(25-14)19-9-10-20(30)29(26-19)17-7-5-16(6-8-17)23-18-11-12-22-21(24-18)27(3)4/h9-13,16-17H,5-8H2,1-4H3,(H,22,23,24).
What are the key properties of 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one has a molecular weight of 408.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126937088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).