1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione

C20H17N3O4 — CID 73294586

IUPAC1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOc2ccccc2Oc2cccc3[nH]ccc23)c(=O)[nH]1
InChIInChI=1S/C20H17N3O4/c24-19-9-11-23(20(25)22-19)12-13-26-17-5-1-2-6-18(17)27-16-7-3-4-15-14(16)8-10-21-15/h1-11,21H,12-13H2,(H,22,24,25)
InChIKeyODNRLRMHEZJDLY-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione

1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione (PubChem CID 73294586) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione
PubChem CID73294586
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOc2ccccc2Oc2cccc3[nH]ccc23)c(=O)[nH]1
InChIInChI=1S/C20H17N3O4/c24-19-9-11-23(20(25)22-19)12-13-26-17-5-1-2-6-18(17)27-16-7-3-4-15-14(16)8-10-21-15/h1-11,21H,12-13H2,(H,22,24,25)
InChIKeyODNRLRMHEZJDLY-UHFFFAOYSA-N
XLogP2.89
TPSA89.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-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-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione (CID 73294586) is 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione is O=c1ccn(CCOc2ccccc2Oc2cccc3[nH]ccc23)c(=O)[nH]1.
What is the InChIKey of 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is ODNRLRMHEZJDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-19-9-11-23(20(25)22-19)12-13-26-17-5-1-2-6-18(17)27-16-7-3-4-15-14(16)8-10-21-15/h1-11,21H,12-13H2,(H,22,24,25).
What are the key properties of 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione?
1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 363.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 73294586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).