N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C13H15N3O4S — CID 866267

IUPACN-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H15N3O4S/c1-9-11(12(17)15-13(18)14-9)21(19,20)16(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,14,15,17,18)
InChIKeyZKTWPMMPOMDWCX-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.19
Rot. Bonds4

About N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 866267) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID866267
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H15N3O4S/c1-9-11(12(17)15-13(18)14-9)21(19,20)16(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,14,15,17,18)
InChIKeyZKTWPMMPOMDWCX-UHFFFAOYSA-N
XLogP0.19
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
6-Phenyluracil
CID 83360
6-Benzylamino-1H-pyrimidine-2,4-dione
CID 308654
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 66553086
1,3-dimethyl-2,4-dioxo-N-phenethyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196408
N-benzyl-1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196425
1,3,6-trimethyl-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196430
6-methyl-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 22521098
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbutane-1-Sulfonamide
CID 66553089
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 3236899
1,3,6-trimethyl-2,4-dioxo-N-phenethyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196489
6-amino-1,3-dimethyl-2,4-dioxo-N-(1-phenylethyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16801242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 866267) is N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is ZKTWPMMPOMDWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-9-11(12(17)15-13(18)14-9)21(19,20)16(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,6-dimethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 866267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).