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

C4H3N4O2+ — CID 24328

IUPAC2,4-dioxo-1H-pyrimidine-5-diazonium
SMILESN#[N+]c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H-,6,7,9,10)/p+1
InChIKeyXFLJNCDBYCPPTE-UHFFFAOYSA-O
MW139.09 g/mol
LogP-0.45
Rot. Bonds

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

2,4-dioxo-1H-pyrimidine-5-diazonium (PubChem CID 24328) has the molecular formula C4H3N4O2+ and a molecular weight of 139.09 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-5-diazonium.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-5-diazonium
PubChem CID24328
Molecular FormulaC4H3N4O2+
Molecular Weight139.09 g/mol
Exact Mass139.03
IUPAC Name2,4-dioxo-1H-pyrimidine-5-diazonium
SMILESN#[N+]c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H-,6,7,9,10)/p+1
InChIKeyXFLJNCDBYCPPTE-UHFFFAOYSA-O
XLogP-0.45
TPSA93.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Aminouracil
CID 13611
Urea, 1-methyl-1-nitroso-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-
CID 101298
5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 265774
5-(Hydroxydiazenyl)pyrimidine-2,4-diol
CID 227928
5-(Dimethylamino)uracil
CID 255552
5-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 250711
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
2-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 42600450
5-(dimethylaminodiazenyl)-1H-pyrimidine-2,4-dione
CID 282290
5-Nitrosouracil
CID 328363
5-Methylaminouracil
CID 255550
5-Azidouracil
CID 9855528

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-5-diazonium?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-5-diazonium (CID 24328) is 2,4-dioxo-1H-pyrimidine-5-diazonium.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-5-diazonium?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-5-diazonium is N#[N+]c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-5-diazonium?
The InChIKey is XFLJNCDBYCPPTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H-,6,7,9,10)/p+1.
What are the key properties of 2,4-dioxo-1H-pyrimidine-5-diazonium?
2,4-dioxo-1H-pyrimidine-5-diazonium has a molecular weight of 139.09 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-5-diazonium is sourced from PubChem (CID 24328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).