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

C9H15N3O4S — CID 21048641

IUPAC2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O4S/c1-2-3-4-5-11-17(15,16)7-6-10-9(14)12-8(7)13/h6,11H,2-5H2,1H3,(H2,10,12,13,14)
InChIKeyJSPYKRUYBHFHLY-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.47
Rot. Bonds6

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

2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide (PubChem CID 21048641) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide
PubChem CID21048641
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O4S/c1-2-3-4-5-11-17(15,16)7-6-10-9(14)12-8(7)13/h6,11H,2-5H2,1H3,(H2,10,12,13,14)
InChIKeyJSPYKRUYBHFHLY-UHFFFAOYSA-N
XLogP-0.47
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinesulfonamide
CID 73270
N-cyclopentyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196320
2-hydroxy-5-[(4-methylpiperidin-1-yl)sulfonyl]pyrimidin-4(3H)-one
CID 7253858
N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196415
N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475135
1-Hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 64340596
5-(azepan-1-ylsulfonyl)-2-hydroxypyrimidin-4(3H)-one
CID 7253843
1-Butanesulfonyl-5-fluorouracil
CID 582626
1-Hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl fluoride
CID 165461312
N,1-dibutyl-2,4-dioxopyrimidine-5-sulfonamide
CID 309825
N-cyclopentyl-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 7543059
N-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 43173134

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide (CID 21048641) is 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide is CCCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide?
The InChIKey is JSPYKRUYBHFHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-2-3-4-5-11-17(15,16)7-6-10-9(14)12-8(7)13/h6,11H,2-5H2,1H3,(H2,10,12,13,14).
What are the key properties of 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide?
2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide has a molecular weight of 261.30 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 21048641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).