1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione

C12H18N2O2 — CID 15509411

IUPAC1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione
SMILESCCC/C=C/n1cc(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-3-5-6-8-14-9-10(7-4-2)11(15)13-12(14)16/h6,8-9H,3-5,7H2,1-2H3,(H,13,15,16)/b8-6+
InChIKeyHCKGKJMZJYMADU-SOFGYWHQSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds5

About 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione

1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione (PubChem CID 15509411) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione
PubChem CID15509411
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione
SMILESCCC/C=C/n1cc(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-3-5-6-8-14-9-10(7-4-2)11(15)13-12(14)16/h6,8-9H,3-5,7H2,1-2H3,(H,13,15,16)/b8-6+
InChIKeyHCKGKJMZJYMADU-SOFGYWHQSA-N
XLogP1.76
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-pent-1-enyl]-5-propylpyrimidine-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 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione?
The IUPAC name of 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione (CID 15509411) is 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione is CCC/C=C/n1cc(CCC)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione?
The InChIKey is HCKGKJMZJYMADU-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-5-6-8-14-9-10(7-4-2)11(15)13-12(14)16/h6,8-9H,3-5,7H2,1-2H3,(H,13,15,16)/b8-6+.
What are the key properties of 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione?
1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 15509411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).