1-cyclopentyl-3,7-dihydropurine-2,6-dione

C10H12N4O2 — CID 10998551

IUPAC1-cyclopentyl-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1
InChIInChI=1S/C10H12N4O2/c15-9-7-8(12-5-11-7)13-10(16)14(9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)(H,13,16)
InChIKeyIBCDFVYWAHQNAA-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.53
Rot. Bonds1

About 1-cyclopentyl-3,7-dihydropurine-2,6-dione

1-cyclopentyl-3,7-dihydropurine-2,6-dione (PubChem CID 10998551) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-cyclopentyl-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name1-cyclopentyl-3,7-dihydropurine-2,6-dione
PubChem CID10998551
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-cyclopentyl-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1
InChIInChI=1S/C10H12N4O2/c15-9-7-8(12-5-11-7)13-10(16)14(9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)(H,13,16)
InChIKeyIBCDFVYWAHQNAA-UHFFFAOYSA-N
XLogP0.53
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,7-dihydropurine-2,6-dione?
The IUPAC name of 1-cyclopentyl-3,7-dihydropurine-2,6-dione (CID 10998551) is 1-cyclopentyl-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 1-cyclopentyl-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 1-cyclopentyl-3,7-dihydropurine-2,6-dione is O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3,7-dihydropurine-2,6-dione?
The InChIKey is IBCDFVYWAHQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-9-7-8(12-5-11-7)13-10(16)14(9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)(H,13,16).
What are the key properties of 1-cyclopentyl-3,7-dihydropurine-2,6-dione?
1-cyclopentyl-3,7-dihydropurine-2,6-dione has a molecular weight of 220.23 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 10998551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).