1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide

C15H19N3O4S — CID 5310479

IUPAC1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H19N3O4S/c1-10(2)11-5-7-12(8-6-11)16-23(21,22)13-9-17(3)15(20)18(4)14(13)19/h5-10,16H,1-4H3
InChIKeyPBGMONRFPQNYDY-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.01
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide (PubChem CID 5310479) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide
PubChem CID5310479
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H19N3O4S/c1-10(2)11-5-7-12(8-6-11)16-23(21,22)13-9-17(3)15(20)18(4)14(13)19/h5-10,16H,1-4H3
InChIKeyPBGMONRFPQNYDY-UHFFFAOYSA-N
XLogP1.01
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide (CID 5310479) is 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide?
The InChIKey is PBGMONRFPQNYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10(2)11-5-7-12(8-6-11)16-23(21,22)13-9-17(3)15(20)18(4)14(13)19/h5-10,16H,1-4H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 5310479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).