6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione

C21H23N3O4S — CID 3916666

IUPAC6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione
SMILESCN(Cc1ccccc1)c1cc(=O)n(C)c(=O)n1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H23N3O4S/c1-22(14-16-7-5-4-6-8-16)19-13-20(25)23(2)21(26)24(19)15-17-9-11-18(12-10-17)29(3,27)28/h4-13H,14-15H2,1-3H3
InChIKeyODPVWOYBSVGPLS-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.64
Rot. Bonds6

About 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione

6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 3916666) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID3916666
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione
SMILESCN(Cc1ccccc1)c1cc(=O)n(C)c(=O)n1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H23N3O4S/c1-22(14-16-7-5-4-6-8-16)19-13-20(25)23(2)21(26)24(19)15-17-9-11-18(12-10-17)29(3,27)28/h4-13H,14-15H2,1-3H3
InChIKeyODPVWOYBSVGPLS-UHFFFAOYSA-N
XLogP1.64
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione
CID 4151380
3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-2,4-dione
CID 4123575
N-benzyl-2-fluoro-N-methyl-4-methylsulfonylaniline
CID 3874666
ethyl 4-[1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]piperazine-1-carboxylate
CID 3496995
8-[benzyl(methyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione
CID 27370839
N-(chloromethyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 115263223
6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 102281921
2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide
CID 60609393
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867
N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 50961757
N-benzyl-N-methyl-4-[(4-methylsulfonylpiperidin-1-yl)methyl]benzenesulfonamide
CID 59826023

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione (CID 3916666) is 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione is CN(Cc1ccccc1)c1cc(=O)n(C)c(=O)n1Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is ODPVWOYBSVGPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-22(14-16-7-5-4-6-8-16)19-13-20(25)23(2)21(26)24(19)15-17-9-11-18(12-10-17)29(3,27)28/h4-13H,14-15H2,1-3H3.
What are the key properties of 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione?
6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 413.50 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-3-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3916666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).