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

C14H18N4O4S — CID 16801242

IUPAC4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C14H18N4O4S/c1-9(10-7-5-4-6-8-10)16-23(21,22)11-12(15)17(2)14(20)18(3)13(11)19/h4-9,16H,15H2,1-3H3
InChIKeyRXAVGYRANDLIHV-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.29
Rot. Bonds4

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

4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide (PubChem CID 16801242) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide
PubChem CID16801242
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C14H18N4O4S/c1-9(10-7-5-4-6-8-10)16-23(21,22)11-12(15)17(2)14(20)18(3)13(11)19/h4-9,16H,15H2,1-3H3
InChIKeyRXAVGYRANDLIHV-UHFFFAOYSA-N
XLogP-0.29
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide (CID 16801242) is 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide is CC(NS(=O)(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1.
What is the InChIKey of 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide?
The InChIKey is RXAVGYRANDLIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-9(10-7-5-4-6-8-10)16-23(21,22)11-12(15)17(2)14(20)18(3)13(11)19/h4-9,16H,15H2,1-3H3.
What are the key properties of 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide?
4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide has a molecular weight of 338.39 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-2,6-dioxo-N-(1-phenylethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 16801242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).