N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C18H19N5O2S — CID 121076950

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCc1cc(C)nc(NC(=O)C(C)(C)n2nc(-c3cccs3)ccc2=O)n1
InChIInChI=1S/C18H19N5O2S/c1-11-10-12(2)20-17(19-11)21-16(25)18(3,4)23-15(24)8-7-13(22-23)14-6-5-9-26-14/h5-10H,1-4H3,(H,19,20,21,25)
InChIKeyOYUVZDYNDYOXON-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.75
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 121076950) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID121076950
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCc1cc(C)nc(NC(=O)C(C)(C)n2nc(-c3cccs3)ccc2=O)n1
InChIInChI=1S/C18H19N5O2S/c1-11-10-12(2)20-17(19-11)21-16(25)18(3,4)23-15(24)8-7-13(22-23)14-6-5-9-26-14/h5-10H,1-4H3,(H,19,20,21,25)
InChIKeyOYUVZDYNDYOXON-UHFFFAOYSA-N
XLogP2.75
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076958
2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076759
2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 121076871
N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076772
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076845
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076846
N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076808
2-[1-(4-benzhydrylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076854
2-[2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076895
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076688
2-[2-methyl-1-oxo-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076822
N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076536

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 121076950) is N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is Cc1cc(C)nc(NC(=O)C(C)(C)n2nc(-c3cccs3)ccc2=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is OYUVZDYNDYOXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11-10-12(2)20-17(19-11)21-16(25)18(3,4)23-15(24)8-7-13(22-23)14-6-5-9-26-14/h5-10H,1-4H3,(H,19,20,21,25).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 369.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121076950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).