8-cyclopentyl-1H-pteridine-2,7-dione

C11H12N4O2 — CID 162383725

IUPAC8-cyclopentyl-1H-pteridine-2,7-dione
SMILESO=c1ncc2ncc(=O)n(C3CCCC3)c2[nH]1
InChIInChI=1S/C11H12N4O2/c16-9-6-12-8-5-13-11(17)14-10(8)15(9)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,17)
InChIKeyYCRJLSNTUMJDQR-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.59
Rot. Bonds1

About 8-cyclopentyl-1H-pteridine-2,7-dione

8-cyclopentyl-1H-pteridine-2,7-dione (PubChem CID 162383725) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 8-cyclopentyl-1H-pteridine-2,7-dione.

Molecular Properties

Compound Name8-cyclopentyl-1H-pteridine-2,7-dione
PubChem CID162383725
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name8-cyclopentyl-1H-pteridine-2,7-dione
SMILESO=c1ncc2ncc(=O)n(C3CCCC3)c2[nH]1
InChIInChI=1S/C11H12N4O2/c16-9-6-12-8-5-13-11(17)14-10(8)15(9)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,17)
InChIKeyYCRJLSNTUMJDQR-UHFFFAOYSA-N
XLogP0.59
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-1H-pteridine-2,7-dione?
The IUPAC name of 8-cyclopentyl-1H-pteridine-2,7-dione (CID 162383725) is 8-cyclopentyl-1H-pteridine-2,7-dione.
What is the SMILES notation for 8-cyclopentyl-1H-pteridine-2,7-dione?
The canonical SMILES for 8-cyclopentyl-1H-pteridine-2,7-dione is O=c1ncc2ncc(=O)n(C3CCCC3)c2[nH]1.
What is the InChIKey of 8-cyclopentyl-1H-pteridine-2,7-dione?
The InChIKey is YCRJLSNTUMJDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-9-6-12-8-5-13-11(17)14-10(8)15(9)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,17).
What are the key properties of 8-cyclopentyl-1H-pteridine-2,7-dione?
8-cyclopentyl-1H-pteridine-2,7-dione has a molecular weight of 232.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-1H-pteridine-2,7-dione is sourced from PubChem (CID 162383725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).