2-methyl-5-methylidene-1H-pyrimidine-4,6-dione

C6H6N2O2 — CID 78175853

IUPAC2-methyl-5-methylidene-1H-pyrimidine-4,6-dione
SMILESC=C1C(=O)N=C(C)NC1=O
InChIInChI=1S/C6H6N2O2/c1-3-5(9)7-4(2)8-6(3)10/h1H2,2H3,(H,7,8,9,10)
InChIKeyAWWGJBITIIVZGJ-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.38
Rot. Bonds

About 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione

2-methyl-5-methylidene-1H-pyrimidine-4,6-dione (PubChem CID 78175853) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-methyl-5-methylidene-1H-pyrimidine-4,6-dione
PubChem CID78175853
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-methyl-5-methylidene-1H-pyrimidine-4,6-dione
SMILESC=C1C(=O)N=C(C)NC1=O
InChIInChI=1S/C6H6N2O2/c1-3-5(9)7-4(2)8-6(3)10/h1H2,2H3,(H,7,8,9,10)
InChIKeyAWWGJBITIIVZGJ-UHFFFAOYSA-N
XLogP-0.38
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', '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

4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
4-hydroxy-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 4436760
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione
CID 76998595
2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 84050101
6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 84050555
N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110855428
2-(4-amino-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 136077653
2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione;dihydrochloride
CID 137699042
2-methyl-5-(oxomethylidene)-1H-pyrimidine-4,6-dione
CID 176525740
2-(1-iminoprop-1-en-2-yl)-1H-pyrimidine-4,6-dione
CID 176544156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione (CID 78175853) is 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione is C=C1C(=O)N=C(C)NC1=O.
What is the InChIKey of 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione?
The InChIKey is AWWGJBITIIVZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-3-5(9)7-4(2)8-6(3)10/h1H2,2H3,(H,7,8,9,10).
What are the key properties of 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione?
2-methyl-5-methylidene-1H-pyrimidine-4,6-dione has a molecular weight of 138.13 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 78175853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).