2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide

C7H11N3O4S — CID 43258987

IUPAC2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide
SMILESCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O4S/c1-2-3-9-15(13,14)5-4-8-7(12)10-6(5)11/h4,9H,2-3H2,1H3,(H2,8,10,11,12)
InChIKeyFATNVBDOYQEYQE-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.25
Rot. Bonds4

About 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide

2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide (PubChem CID 43258987) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide
PubChem CID43258987
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide
SMILESCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O4S/c1-2-3-9-15(13,14)5-4-8-7(12)10-6(5)11/h4,9H,2-3H2,1H3,(H2,8,10,11,12)
InChIKeyFATNVBDOYQEYQE-UHFFFAOYSA-N
XLogP-1.25
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide (CID 43258987) is 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide is CCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide?
The InChIKey is FATNVBDOYQEYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-2-3-9-15(13,14)5-4-8-7(12)10-6(5)11/h4,9H,2-3H2,1H3,(H2,8,10,11,12).
What are the key properties of 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide?
2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide has a molecular weight of 233.25 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 43258987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).