2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide

C4H6N4O4S — CID 43476878

IUPAC2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide
SMILESNNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H6N4O4S/c5-8-13(11,12)2-1-6-4(10)7-3(2)9/h1,8H,5H2,(H2,6,7,9,10)
InChIKeyIEPVEYUKXUMSJF-UHFFFAOYSA-N
MW206.18 g/mol
LogP-2.78
Rot. Bonds2

About 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide

2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide (PubChem CID 43476878) has the molecular formula C4H6N4O4S and a molecular weight of 206.18 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide
PubChem CID43476878
Molecular FormulaC4H6N4O4S
Molecular Weight206.18 g/mol
Exact Mass206.01
IUPAC Name2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide
SMILESNNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H6N4O4S/c5-8-13(11,12)2-1-6-4(10)7-3(2)9/h1,8H,5H2,(H2,6,7,9,10)
InChIKeyIEPVEYUKXUMSJF-UHFFFAOYSA-N
XLogP-2.78
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 5-2.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinesulfonamide
CID 73270
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 234620
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 64341367
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl fluoride
CID 3102991
5-(Methanesulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 244105
4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonohydrazide
CID 91151012
1-(2-Fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 81339874
N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 114384143
N-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 43173134
N-ethyl-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 43258966
N,N-diethyl-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 43980555
2,4-dioxo-1H-pyrimidine-5-sulfonic acid
CID 21983790

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide (CID 43476878) is 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide is NNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide?
The InChIKey is IEPVEYUKXUMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O4S/c5-8-13(11,12)2-1-6-4(10)7-3(2)9/h1,8H,5H2,(H2,6,7,9,10).
What are the key properties of 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide?
2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide has a molecular weight of 206.18 g/mol, XLogP of -2.78, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-5-sulfonohydrazide is sourced from PubChem (CID 43476878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).