7-pentyl-1H-pteridine-2,4-dione

C11H14N4O2 — CID 69450647

IUPAC7-pentyl-1H-pteridine-2,4-dione
SMILESCCCCCc1cnc2c(=O)[nH]c(=O)[nH]c2n1
InChIInChI=1S/C11H14N4O2/c1-2-3-4-5-7-6-12-8-9(13-7)14-11(17)15-10(8)16/h6H,2-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyNHJFFCPOABPDFZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.74
Rot. Bonds4

About 7-pentyl-1H-pteridine-2,4-dione

7-pentyl-1H-pteridine-2,4-dione (PubChem CID 69450647) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-pentyl-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name7-pentyl-1H-pteridine-2,4-dione
PubChem CID69450647
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name7-pentyl-1H-pteridine-2,4-dione
SMILESCCCCCc1cnc2c(=O)[nH]c(=O)[nH]c2n1
InChIInChI=1S/C11H14N4O2/c1-2-3-4-5-7-6-12-8-9(13-7)14-11(17)15-10(8)16/h6H,2-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyNHJFFCPOABPDFZ-UHFFFAOYSA-N
XLogP0.74
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-pentyl-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 7-pentyl-1H-pteridine-2,4-dione?
The IUPAC name of 7-pentyl-1H-pteridine-2,4-dione (CID 69450647) is 7-pentyl-1H-pteridine-2,4-dione.
What is the SMILES notation for 7-pentyl-1H-pteridine-2,4-dione?
The canonical SMILES for 7-pentyl-1H-pteridine-2,4-dione is CCCCCc1cnc2c(=O)[nH]c(=O)[nH]c2n1.
What is the InChIKey of 7-pentyl-1H-pteridine-2,4-dione?
The InChIKey is NHJFFCPOABPDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-3-4-5-7-6-12-8-9(13-7)14-11(17)15-10(8)16/h6H,2-5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 7-pentyl-1H-pteridine-2,4-dione?
7-pentyl-1H-pteridine-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyl-1H-pteridine-2,4-dione is sourced from PubChem (CID 69450647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).