2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione

C6H4N2O3 — CID 176525740

IUPAC2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(=C=O)C(=O)N1
InChIInChI=1S/C6H4N2O3/c1-3-7-5(10)4(2-9)6(11)8-3/h1H3,(H,7,8,10,11)
InChIKeyJJSAMOLBQIWOAR-UHFFFAOYSA-N
MW152.11 g/mol
LogP-1.18
Rot. Bonds

About 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione

2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione (PubChem CID 176525740) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione
PubChem CID176525740
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(=C=O)C(=O)N1
InChIInChI=1S/C6H4N2O3/c1-3-7-5(10)4(2-9)6(11)8-3/h1H3,(H,7,8,10,11)
InChIKeyJJSAMOLBQIWOAR-UHFFFAOYSA-N
XLogP-1.18
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
4-cyclohexylidene-2-methyl-1H-imidazol-5-one
CID 137219208
ethane;5-methylimidazole-2,4-dione
CID 145271204
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893560
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
4-ethoxy-3-(oxomethylidene)-5-phenyl-1H-pyrrol-2-one
CID 176545417
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136894136
imidazolidine-2,4,5-trione;isocyanic acid
CID 88789640
2,4-dimethyl-1,4-dihydroimidazol-5-one
CID 11571792
3-hydroxy-4-methyl-5-methylidenepyrrol-2-one
CID 130010602
3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione
CID 57412887

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione (CID 176525740) is 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione is CC1=NC(=O)C(=C=O)C(=O)N1.
What is the InChIKey of 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione?
The InChIKey is JJSAMOLBQIWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c1-3-7-5(10)4(2-9)6(11)8-3/h1H3,(H,7,8,10,11).
What are the key properties of 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione?
2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione has a molecular weight of 152.11 g/mol, XLogP of -1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 176525740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).