2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one

C21H24N6O — CID 126936318

IUPAC2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1cc(C)nc(NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)n1
InChIInChI=1S/C21H24N6O/c1-14-12-15(2)24-21(23-14)25-17-5-7-18(8-6-17)27-20(28)10-9-19(26-27)16-4-3-11-22-13-16/h3-4,9-13,17-18H,5-8H2,1-2H3,(H,23,24,25)
InChIKeyNSDRWGVJIVBTHB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one

2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126936318) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126936318
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1cc(C)nc(NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)n1
InChIInChI=1S/C21H24N6O/c1-14-12-15(2)24-21(23-14)25-17-5-7-18(8-6-17)27-20(28)10-9-19(26-27)16-4-3-11-22-13-16/h3-4,9-13,17-18H,5-8H2,1-2H3,(H,23,24,25)
InChIKeyNSDRWGVJIVBTHB-UHFFFAOYSA-N
XLogP3.31
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936493
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936354
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 126936222
2-[4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936441
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
CID 126936312
2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 126936211
2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936445
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126936292
6-pyridin-3-yl-2-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936442

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one (CID 126936318) is 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one is Cc1cc(C)nc(NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)n1.
What is the InChIKey of 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is NSDRWGVJIVBTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-12-15(2)24-21(23-14)25-17-5-7-18(8-6-17)27-20(28)10-9-19(26-27)16-4-3-11-22-13-16/h3-4,9-13,17-18H,5-8H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 376.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126936318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).