2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione

C11H13N5O3 — CID 175788880

IUPAC2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione
SMILESNc1nc2c([nH]c(=O)c(=O)n2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O3/c12-11-14-7-6(8(17)15-11)13-9(18)10(19)16(7)5-3-1-2-4-5/h5H,1-4H2,(H,13,18)(H3,12,14,15,17)
InChIKeyVCIPVHIWGQUVAV-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.53
Rot. Bonds1

About 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione

2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione (PubChem CID 175788880) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione.

Molecular Properties

Compound Name2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione
PubChem CID175788880
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione
SMILESNc1nc2c([nH]c(=O)c(=O)n2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O3/c12-11-14-7-6(8(17)15-11)13-9(18)10(19)16(7)5-3-1-2-4-5/h5H,1-4H2,(H,13,18)(H3,12,14,15,17)
InChIKeyVCIPVHIWGQUVAV-UHFFFAOYSA-N
XLogP-0.53
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione?
The IUPAC name of 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione (CID 175788880) is 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione.
What is the SMILES notation for 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione?
The canonical SMILES for 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione is Nc1nc2c([nH]c(=O)c(=O)n2C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione?
The InChIKey is VCIPVHIWGQUVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-11-14-7-6(8(17)15-11)13-9(18)10(19)16(7)5-3-1-2-4-5/h5H,1-4H2,(H,13,18)(H3,12,14,15,17).
What are the key properties of 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione?
2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione has a molecular weight of 263.26 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione is sourced from PubChem (CID 175788880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).