4-(methyldiazenyl)-1H-pyrimidin-6-one

C5H6N4O — CID 137022461

IUPAC4-(methyldiazenyl)-1H-pyrimidin-6-one
SMILESC/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C5H6N4O/c1-6-9-4-2-5(10)8-3-7-4/h2-3H,1H3,(H,7,8,10)/b9-6+
InChIKeyJPGGOWAQAIUARE-RMKNXTFCSA-N
MW138.13 g/mol
LogP0.48
Rot. Bonds1

About 4-(methyldiazenyl)-1H-pyrimidin-6-one

4-(methyldiazenyl)-1H-pyrimidin-6-one (PubChem CID 137022461) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-(methyldiazenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methyldiazenyl)-1H-pyrimidin-6-one
PubChem CID137022461
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name4-(methyldiazenyl)-1H-pyrimidin-6-one
SMILESC/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C5H6N4O/c1-6-9-4-2-5(10)8-3-7-4/h2-3H,1H3,(H,7,8,10)/b9-6+
InChIKeyJPGGOWAQAIUARE-RMKNXTFCSA-N
XLogP0.48
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4(3H)-Pyrimidinone, 6-methyl-
CID 135431249
6-Amino-1H-pyrimidin-4-one
CID 135431272
6-Amino-3-methyl-3,4-dihydropyrimidin-4-one
CID 580359
6-(Methylamino)pyrimidin-4-ol
CID 135481447
6-Methoxy-4-1H-pyrimidinone
CID 3770663
3-Methyl-6-(methylamino)-4(3H)-pyrimidinone
CID 55288147
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
4-Fluoro-6-hydroxypyrimidine
CID 135608329
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
6-oxo-1H-pyrimidin-4-olate
CID 21795853
3-methyl-1H-pyrimidin-3-ium-6-one
CID 21820079
4-Hydroxy-6-hydrazinylpyrimidine
CID 135482525

Frequently Asked Questions

What is the IUPAC name of 4-(methyldiazenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methyldiazenyl)-1H-pyrimidin-6-one (CID 137022461) is 4-(methyldiazenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methyldiazenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methyldiazenyl)-1H-pyrimidin-6-one is C/N=N/c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(methyldiazenyl)-1H-pyrimidin-6-one?
The InChIKey is JPGGOWAQAIUARE-RMKNXTFCSA-N. The full InChI is InChI=1S/C5H6N4O/c1-6-9-4-2-5(10)8-3-7-4/h2-3H,1H3,(H,7,8,10)/b9-6+.
What are the key properties of 4-(methyldiazenyl)-1H-pyrimidin-6-one?
4-(methyldiazenyl)-1H-pyrimidin-6-one has a molecular weight of 138.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyldiazenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137022461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).