2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide

C9H15N3O4S — CID 107889709

IUPAC2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide
SMILESCCCC(C)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O4S/c1-3-4-6(2)12-5-7(17(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14)
InChIKeyPYNWXDHTSHUNGL-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.45
Rot. Bonds4

About 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide

2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide (PubChem CID 107889709) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide
PubChem CID107889709
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide
SMILESCCCC(C)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O4S/c1-3-4-6(2)12-5-7(17(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14)
InChIKeyPYNWXDHTSHUNGL-UHFFFAOYSA-N
XLogP-0.45
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide (CID 107889709) is 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide is CCCC(C)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is PYNWXDHTSHUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-4-6(2)12-5-7(17(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14).
What are the key properties of 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide?
2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 261.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-pentan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 107889709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).