3-(2-phenylethyl)-1H-pteridine-2,4-dione

C14H12N4O2 — CID 27558241

IUPAC3-(2-phenylethyl)-1H-pteridine-2,4-dione
SMILESO=c1[nH]c2nccnc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C14H12N4O2/c19-13-11-12(16-8-7-15-11)17-14(20)18(13)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,16,17,20)
InChIKeyYOKQPLQKXMOMQK-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.72
Rot. Bonds3

About 3-(2-phenylethyl)-1H-pteridine-2,4-dione

3-(2-phenylethyl)-1H-pteridine-2,4-dione (PubChem CID 27558241) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name3-(2-phenylethyl)-1H-pteridine-2,4-dione
PubChem CID27558241
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-(2-phenylethyl)-1H-pteridine-2,4-dione
SMILESO=c1[nH]c2nccnc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C14H12N4O2/c19-13-11-12(16-8-7-15-11)17-14(20)18(13)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,16,17,20)
InChIKeyYOKQPLQKXMOMQK-UHFFFAOYSA-N
XLogP0.72
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-phenylethyl)-1H-pteridine-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 3-(2-phenylethyl)-1H-pteridine-2,4-dione?
The IUPAC name of 3-(2-phenylethyl)-1H-pteridine-2,4-dione (CID 27558241) is 3-(2-phenylethyl)-1H-pteridine-2,4-dione.
What is the SMILES notation for 3-(2-phenylethyl)-1H-pteridine-2,4-dione?
The canonical SMILES for 3-(2-phenylethyl)-1H-pteridine-2,4-dione is O=c1[nH]c2nccnc2c(=O)n1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-1H-pteridine-2,4-dione?
The InChIKey is YOKQPLQKXMOMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-13-11-12(16-8-7-15-11)17-14(20)18(13)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,16,17,20).
What are the key properties of 3-(2-phenylethyl)-1H-pteridine-2,4-dione?
3-(2-phenylethyl)-1H-pteridine-2,4-dione has a molecular weight of 268.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1H-pteridine-2,4-dione is sourced from PubChem (CID 27558241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).