5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione

C9H12N2O2 — CID 20617625

IUPAC5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione
SMILESCC/C=C/c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O2/c1-3-4-5-7-6-11(2)9(13)10-8(7)12/h4-6H,3H2,1-2H3,(H,10,12,13)/b5-4+
InChIKeyLOZQNMVRVHFRDA-SNAWJCMRSA-N
MW180.21 g/mol
LogP0.50
Rot. Bonds2

About 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione

5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione (PubChem CID 20617625) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione
PubChem CID20617625
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione
SMILESCC/C=C/c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O2/c1-3-4-5-7-6-11(2)9(13)10-8(7)12/h4-6H,3H2,1-2H3,(H,10,12,13)/b5-4+
InChIKeyLOZQNMVRVHFRDA-SNAWJCMRSA-N
XLogP0.50
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione (CID 20617625) is 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione is CC/C=C/c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is LOZQNMVRVHFRDA-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-4-5-7-6-11(2)9(13)10-8(7)12/h4-6H,3H2,1-2H3,(H,10,12,13)/b5-4+.
What are the key properties of 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione?
5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 20617625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).