4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 103241443

IUPAC4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCCCN(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-9-12-10(15)8-11(13-9)16-7-5-6-14(2)3/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyYUEJDCPHTQSJAF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.66
Rot. Bonds6

About 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one

4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103241443) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one
PubChem CID103241443
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCCCN(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-9-12-10(15)8-11(13-9)16-7-5-6-14(2)3/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyYUEJDCPHTQSJAF-UHFFFAOYSA-N
XLogP0.66
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(dimethylamino)propoxy]-2-ethyl-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 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one (CID 103241443) is 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OCCCN(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is YUEJDCPHTQSJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9-12-10(15)8-11(13-9)16-7-5-6-14(2)3/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one?
4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).