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

C5H5N4O2+ — CID 102482143

IUPAC6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium
SMILESCc1[nH]c(=O)[nH]c(=O)c1[N+]#N
InChIInChI=1S/C5H4N4O2/c1-2-3(9-6)4(10)8-5(11)7-2/h1H3,(H-,7,8,10,11)/p+1
InChIKeyIPSBIOFLUTUKLJ-UHFFFAOYSA-O
MW153.12 g/mol
LogP-0.14
Rot. Bonds

About 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium

6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium (PubChem CID 102482143) has the molecular formula C5H5N4O2+ and a molecular weight of 153.12 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium
PubChem CID102482143
Molecular FormulaC5H5N4O2+
Molecular Weight153.12 g/mol
Exact Mass153.04
IUPAC Name6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium
SMILESCc1[nH]c(=O)[nH]c(=O)c1[N+]#N
InChIInChI=1S/C5H4N4O2/c1-2-3(9-6)4(10)8-5(11)7-2/h1H3,(H-,7,8,10,11)/p+1
InChIKeyIPSBIOFLUTUKLJ-UHFFFAOYSA-O
XLogP-0.14
TPSA93.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-0.14
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

6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione
CID 12535961
6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 67893557
N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 3320329
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137262645
6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-diazonium
CID 5018450
6-methyl-5-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 761461
(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate
CID 14341509
N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 45071779
(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) hydrogen sulfate
CID 2189439
5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 135455284
(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid
CID 743193
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 22521113

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium?
The IUPAC name of 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium (CID 102482143) is 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium.
What is the SMILES notation for 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium?
The canonical SMILES for 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium is Cc1[nH]c(=O)[nH]c(=O)c1[N+]#N.
What is the InChIKey of 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium?
The InChIKey is IPSBIOFLUTUKLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H4N4O2/c1-2-3(9-6)4(10)8-5(11)7-2/h1H3,(H-,7,8,10,11)/p+1.
What are the key properties of 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium?
6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium has a molecular weight of 153.12 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium is sourced from PubChem (CID 102482143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).