N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C15H20N4O4S — CID 26531386

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H20N4O4S/c1-17(2)12-7-5-11(6-8-12)9-16-24(22,23)13-10-18(3)15(21)19(4)14(13)20/h5-8,10,16H,9H2,1-4H3
InChIKeyAQEBYBINIOEOMQ-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.37
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 26531386) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID26531386
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H20N4O4S/c1-17(2)12-7-5-11(6-8-12)9-16-24(22,23)13-10-18(3)15(21)19(4)14(13)20/h5-8,10,16H,9H2,1-4H3
InChIKeyAQEBYBINIOEOMQ-UHFFFAOYSA-N
XLogP-0.37
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196425
1,3-dimethyl-5-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 5310357
N-[4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]phenyl]acetamide
CID 5310382
1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamide
CID 5310479
N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide
CID 6621534
N-[4-(diethylamino)-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7161156
N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7161162
N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
CID 7161167
6-Amino-1,3-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylpyrimidine-2,4-dione
CID 7161992
1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 11957239
6-amino-1,3-dimethyl-5-((2-methylindolin-1-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 16194772
N-[[4-(dimethylamino)phenyl]methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162670715

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 26531386) is N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CN(C)c1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is AQEBYBINIOEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-17(2)12-7-5-11(6-8-12)9-16-24(22,23)13-10-18(3)15(21)19(4)14(13)20/h5-8,10,16H,9H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 26531386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).