5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one

C9H13N3O — CID 68649410

IUPAC5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one
SMILESCC(N)C/C=C/c1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-7(10)3-2-4-8-5-11-6-12-9(8)13/h2,4-7H,3,10H2,1H3,(H,11,12,13)/b4-2+
InChIKeyWFZOTTWUEQVHFR-DUXPYHPUSA-N
MW179.22 g/mol
LogP0.52
Rot. Bonds3

About 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one

5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one (PubChem CID 68649410) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one
PubChem CID68649410
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one
SMILESCC(N)C/C=C/c1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-7(10)3-2-4-8-5-11-6-12-9(8)13/h2,4-7H,3,10H2,1H3,(H,11,12,13)/b4-2+
InChIKeyWFZOTTWUEQVHFR-DUXPYHPUSA-N
XLogP0.52
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one 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)-4-aminopent-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one (CID 68649410) is 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one is CC(N)C/C=C/c1cnc[nH]c1=O.
What is the InChIKey of 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is WFZOTTWUEQVHFR-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(10)3-2-4-8-5-11-6-12-9(8)13/h2,4-7H,3,10H2,1H3,(H,11,12,13)/b4-2+.
What are the key properties of 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one?
5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 68649410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).