3-[3-(ethylamino)propyl]pyrimidin-4-one

C9H15N3O — CID 63767956

IUPAC3-[3-(ethylamino)propyl]pyrimidin-4-one
SMILESCCNCCCn1cnccc1=O
InChIInChI=1S/C9H15N3O/c1-2-10-5-3-7-12-8-11-6-4-9(12)13/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyIAVDCYWSBXOELS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.24
Rot. Bonds5

About 3-[3-(ethylamino)propyl]pyrimidin-4-one

3-[3-(ethylamino)propyl]pyrimidin-4-one (PubChem CID 63767956) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[3-(ethylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(ethylamino)propyl]pyrimidin-4-one
PubChem CID63767956
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[3-(ethylamino)propyl]pyrimidin-4-one
SMILESCCNCCCn1cnccc1=O
InChIInChI=1S/C9H15N3O/c1-2-10-5-3-7-12-8-11-6-4-9(12)13/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyIAVDCYWSBXOELS-UHFFFAOYSA-N
XLogP0.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(ethylamino)propyl]pyrimidin-4-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 3-[3-(ethylamino)propyl]pyrimidin-4-one?
The IUPAC name of 3-[3-(ethylamino)propyl]pyrimidin-4-one (CID 63767956) is 3-[3-(ethylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(ethylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-(ethylamino)propyl]pyrimidin-4-one is CCNCCCn1cnccc1=O.
What is the InChIKey of 3-[3-(ethylamino)propyl]pyrimidin-4-one?
The InChIKey is IAVDCYWSBXOELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-10-5-3-7-12-8-11-6-4-9(12)13/h4,6,8,10H,2-3,5,7H2,1H3.
What are the key properties of 3-[3-(ethylamino)propyl]pyrimidin-4-one?
3-[3-(ethylamino)propyl]pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 63767956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).