6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one

C19H29N7O — CID 126931127

IUPAC6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(N2CCCCC2CNc2nccc(N(C)C)n2)ccc1=O
InChIInChI=1S/C19H29N7O/c1-14(2)26-18(27)9-8-17(23-26)25-12-6-5-7-15(25)13-21-19-20-11-10-16(22-19)24(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,20,21,22)
InChIKeyLVDOLKHPUKNIQD-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.15
Rot. Bonds6

About 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one

6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one (PubChem CID 126931127) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
PubChem CID126931127
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(N2CCCCC2CNc2nccc(N(C)C)n2)ccc1=O
InChIInChI=1S/C19H29N7O/c1-14(2)26-18(27)9-8-17(23-26)25-12-6-5-7-15(25)13-21-19-20-11-10-16(22-19)24(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,20,21,22)
InChIKeyLVDOLKHPUKNIQD-UHFFFAOYSA-N
XLogP2.15
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one with MolForge

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Related Compounds

2-propan-2-yl-6-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931096
6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931106
6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
2-propan-2-yl-6-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931158
2-propan-2-yl-6-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931249
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931091
6-[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931098
6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931157
6-[2-[[(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931232
6-[2-[[(2-methylpyrazol-3-yl)methylamino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931168
2,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]furan-3-carboxamide
CID 126930983
6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 126931012

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one (CID 126931127) is 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(N2CCCCC2CNc2nccc(N(C)C)n2)ccc1=O.
What is the InChIKey of 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is LVDOLKHPUKNIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14(2)26-18(27)9-8-17(23-26)25-12-6-5-7-15(25)13-21-19-20-11-10-16(22-19)24(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,20,21,22).
What are the key properties of 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 371.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 126931127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).