N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide

C18H24N4O3S — CID 119046367

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1cccc(CC(=O)NCc2cc(C)nc(N(C)C)n2)c1
InChIInChI=1S/C18H24N4O3S/c1-5-26(24,25)16-8-6-7-14(10-16)11-17(23)19-12-15-9-13(2)20-18(21-15)22(3)4/h6-10H,5,11-12H2,1-4H3,(H,19,23)
InChIKeyYLUSOHZASWSFRU-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.50
Rot. Bonds7

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide (PubChem CID 119046367) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide
PubChem CID119046367
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1cccc(CC(=O)NCc2cc(C)nc(N(C)C)n2)c1
InChIInChI=1S/C18H24N4O3S/c1-5-26(24,25)16-8-6-7-14(10-16)11-17(23)19-12-15-9-13(2)20-18(21-15)22(3)4/h6-10H,5,11-12H2,1-4H3,(H,19,23)
InChIKeyYLUSOHZASWSFRU-UHFFFAOYSA-N
XLogP1.50
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine
CID 100690186
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 121137861
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
CID 72718413
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122353987
2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide
CID 122354034
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-nitrobenzenesulfonamide
CID 122354206
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide (CID 119046367) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1cccc(CC(=O)NCc2cc(C)nc(N(C)C)n2)c1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide?
The InChIKey is YLUSOHZASWSFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-5-26(24,25)16-8-6-7-14(10-16)11-17(23)19-12-15-9-13(2)20-18(21-15)22(3)4/h6-10H,5,11-12H2,1-4H3,(H,19,23).
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 119046367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).