5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione

C10H14N2O2 — CID 5375371

IUPAC5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C=C(\C)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O2/c1-5-7(2)8-6-11(3)10(14)12(4)9(8)13/h5-6H,1-4H3/b7-5+
InChIKeyJYXLUQAVHOESKL-FNORWQNLSA-N
MW194.23 g/mol
LogP0.51
Rot. Bonds1

About 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione

5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 5375371) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID5375371
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C=C(\C)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O2/c1-5-7(2)8-6-11(3)10(14)12(4)9(8)13/h5-6H,1-4H3/b7-5+
InChIKeyJYXLUQAVHOESKL-FNORWQNLSA-N
XLogP0.51
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 5375371) is 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione is C/C=C(\C)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JYXLUQAVHOESKL-FNORWQNLSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5-7(2)8-6-11(3)10(14)12(4)9(8)13/h5-6H,1-4H3/b7-5+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 5375371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).