1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide

C15H19N3O4S — CID 7196489

IUPAC1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCCc2ccccc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H19N3O4S/c1-11-13(14(19)18(3)15(20)17(11)2)23(21,22)16-10-9-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3
InChIKeyADICWLHYRFNCKU-UHFFFAOYSA-N
MW337.40 g/mol
LogP-0.09
Rot. Bonds5

About 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide

1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide (PubChem CID 7196489) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide
PubChem CID7196489
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCCc2ccccc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H19N3O4S/c1-11-13(14(19)18(3)15(20)17(11)2)23(21,22)16-10-9-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3
InChIKeyADICWLHYRFNCKU-UHFFFAOYSA-N
XLogP-0.09
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide (CID 7196489) is 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide is Cc1c(S(=O)(=O)NCCc2ccccc2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide?
The InChIKey is ADICWLHYRFNCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11-13(14(19)18(3)15(20)17(11)2)23(21,22)16-10-9-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide?
1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2,6-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 7196489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).