2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione

C15H15N5O2 — CID 9120668

IUPAC2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione
SMILESCn1c(N)nc2nc(CCc3ccccc3)c(=O)[nH]c2c1=O
InChIInChI=1S/C15H15N5O2/c1-20-14(22)11-12(19-15(20)16)17-10(13(21)18-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,21)(H2,16,17,19)
InChIKeyHRJLWHUNBAQPEX-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.38
Rot. Bonds3

About 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione

2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione (PubChem CID 9120668) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione
PubChem CID9120668
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione
SMILESCn1c(N)nc2nc(CCc3ccccc3)c(=O)[nH]c2c1=O
InChIInChI=1S/C15H15N5O2/c1-20-14(22)11-12(19-15(20)16)17-10(13(21)18-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,21)(H2,16,17,19)
InChIKeyHRJLWHUNBAQPEX-UHFFFAOYSA-N
XLogP0.38
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-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 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione?
The IUPAC name of 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione (CID 9120668) is 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione.
What is the SMILES notation for 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione?
The canonical SMILES for 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione is Cn1c(N)nc2nc(CCc3ccccc3)c(=O)[nH]c2c1=O.
What is the InChIKey of 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione?
The InChIKey is HRJLWHUNBAQPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20-14(22)11-12(19-15(20)16)17-10(13(21)18-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,21)(H2,16,17,19).
What are the key properties of 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione?
2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione has a molecular weight of 297.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione is sourced from PubChem (CID 9120668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).