1-ethenyl-5-methylpyrimidine-2,4-dione

C7H8N2O2 — CID 4652520

IUPAC1-ethenyl-5-methylpyrimidine-2,4-dione
SMILESC=Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h3-4H,1H2,2H3,(H,8,10,11)
InChIKeyJUCQIDYDXCHRKC-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.05
Rot. Bonds1

About 1-ethenyl-5-methylpyrimidine-2,4-dione

1-ethenyl-5-methylpyrimidine-2,4-dione (PubChem CID 4652520) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-ethenyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethenyl-5-methylpyrimidine-2,4-dione
PubChem CID4652520
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-ethenyl-5-methylpyrimidine-2,4-dione
SMILESC=Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h3-4H,1H2,2H3,(H,8,10,11)
InChIKeyJUCQIDYDXCHRKC-UHFFFAOYSA-N
XLogP-0.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-ethenyl-5-methylpyrimidine-2,4-dione (CID 4652520) is 1-ethenyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-ethenyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-ethenyl-5-methylpyrimidine-2,4-dione is C=Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-ethenyl-5-methylpyrimidine-2,4-dione?
The InChIKey is JUCQIDYDXCHRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h3-4H,1H2,2H3,(H,8,10,11).
What are the key properties of 1-ethenyl-5-methylpyrimidine-2,4-dione?
1-ethenyl-5-methylpyrimidine-2,4-dione has a molecular weight of 152.15 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 4652520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).