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

C16H23N7O — CID 126930439

IUPAC3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESCN(C)c1cc(NCC2CCCCN2c2ccc(=O)[nH]n2)ncn1
InChIInChI=1S/C16H23N7O/c1-22(2)15-9-13(18-11-19-15)17-10-12-5-3-4-8-23(12)14-6-7-16(24)21-20-14/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,21,24)(H,17,18,19)
InChIKeyZMYMKOCXLNNXIZ-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.10
Rot. Bonds5

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

3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 126930439) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID126930439
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESCN(C)c1cc(NCC2CCCCN2c2ccc(=O)[nH]n2)ncn1
InChIInChI=1S/C16H23N7O/c1-22(2)15-9-13(18-11-19-15)17-10-12-5-3-4-8-23(12)14-6-7-16(24)21-20-14/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,21,24)(H,17,18,19)
InChIKeyZMYMKOCXLNNXIZ-UHFFFAOYSA-N
XLogP1.10
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[2-[[(6-cyclopropylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930428
3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930427
3-[2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930534
3-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930411
3-[2-[[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930523
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126930570
3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 126930391
3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930486
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
CID 126930558
3-[2-[[(1-hydroxycyclopentyl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930538
(5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 39781719
6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931127

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one (CID 126930439) is 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one is CN(C)c1cc(NCC2CCCCN2c2ccc(=O)[nH]n2)ncn1.
What is the InChIKey of 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is ZMYMKOCXLNNXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-22(2)15-9-13(18-11-19-15)17-10-12-5-3-4-8-23(12)14-6-7-16(24)21-20-14/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,21,24)(H,17,18,19).
What are the key properties of 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 329.41 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 126930439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).