N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide

C15H20N4O3S — CID 167743184

IUPACN,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1ccc(CNc2cc(=O)n(C)cn2)cc1
InChIInChI=1S/C15H20N4O3S/c1-18(2)23(21,22)10-13-6-4-12(5-7-13)9-16-14-8-15(20)19(3)11-17-14/h4-8,11,16H,9-10H2,1-3H3
InChIKeyHZYPCZVFZIQLQV-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.78
Rot. Bonds6

About N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide

N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide (PubChem CID 167743184) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide
PubChem CID167743184
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1ccc(CNc2cc(=O)n(C)cn2)cc1
InChIInChI=1S/C15H20N4O3S/c1-18(2)23(21,22)10-13-6-4-12(5-7-13)9-16-14-8-15(20)19(3)11-17-14/h4-8,11,16H,9-10H2,1-3H3
InChIKeyHZYPCZVFZIQLQV-UHFFFAOYSA-N
XLogP0.78
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)butane-1-sulfonamide
CID 16001788
7-Methyl-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-sulfonamide
CID 23004521
2-methyl-N-[1-(4-methylphenyl)-6-(6-oxo-1H-pyrimidin-4-yl)hexyl]propane-2-sulfinamide
CID 178061012
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614995
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 26953154
N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 26958769
N-[3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide
CID 45589838
N-[3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]propane-2-sulfonamide
CID 45589885
N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)propane-2-sulfonamide
CID 45589911
1,2-Dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine
CID 53542765
N-methyl-1-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]methanesulfonamide
CID 56226173
1,2-Dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 75419005

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide (CID 167743184) is N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide is CN(C)S(=O)(=O)Cc1ccc(CNc2cc(=O)n(C)cn2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide?
The InChIKey is HZYPCZVFZIQLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18(2)23(21,22)10-13-6-4-12(5-7-13)9-16-14-8-15(20)19(3)11-17-14/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide?
N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 167743184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).