3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one

C13H23N3O3 — CID 79374487

IUPAC3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCCOCCCNCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C13H23N3O3/c1-4-19-9-5-6-14-7-8-16-12(17)10-11(2)15-13(16)18-3/h10,14H,4-9H2,1-3H3
InChIKeyWQDNZXGPNJOWEM-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.58
Rot. Bonds9

About 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one

3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79374487) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79374487
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCCOCCCNCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C13H23N3O3/c1-4-19-9-5-6-14-7-8-16-12(17)10-11(2)15-13(16)18-3/h10,14H,4-9H2,1-3H3
InChIKeyWQDNZXGPNJOWEM-UHFFFAOYSA-N
XLogP0.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-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-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79374487) is 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one is CCOCCCNCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is WQDNZXGPNJOWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-19-9-5-6-14-7-8-16-12(17)10-11(2)15-13(16)18-3/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 269.34 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79374487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).