N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide

C13H16N4O2S — CID 62150452

IUPACN-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C13H16N4O2S/c1-14-13-15-8-12(9-16-13)20(18,19)17(2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,14,15,16)
InChIKeyUMRPFIGGILGTKW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.34
Rot. Bonds5

About N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide

N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62150452) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62150452
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C13H16N4O2S/c1-14-13-15-8-12(9-16-13)20(18,19)17(2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,14,15,16)
InChIKeyUMRPFIGGILGTKW-UHFFFAOYSA-N
XLogP1.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62152999
N-methyl-2-(methylamino)-N-phenylpyrimidine-5-sulfonamide
CID 62148831
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145454
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61414521
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958761
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-methylbenzenesulfonamide
CID 168582182
N-methyl-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62148236
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62147367
4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide (CID 62150452) is N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)N(C)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is UMRPFIGGILGTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-14-13-15-8-12(9-16-13)20(18,19)17(2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,14,15,16).
What are the key properties of N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62150452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).