2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione

C11H15N5O2 — CID 155214717

IUPAC2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione
SMILESNc1nc2c([nH]c(=O)n2C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N5O2/c12-10-14-8-7(9(17)15-10)13-11(18)16(8)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,18)(H3,12,14,15,17)
InChIKeyUYGJAPZYUXAMMO-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.50
Rot. Bonds1

About 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione

2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione (PubChem CID 155214717) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione
PubChem CID155214717
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione
SMILESNc1nc2c([nH]c(=O)n2C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N5O2/c12-10-14-8-7(9(17)15-10)13-11(18)16(8)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,18)(H3,12,14,15,17)
InChIKeyUYGJAPZYUXAMMO-UHFFFAOYSA-N
XLogP0.50
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione?
The IUPAC name of 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione (CID 155214717) is 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione is Nc1nc2c([nH]c(=O)n2C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione?
The InChIKey is UYGJAPZYUXAMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-10-14-8-7(9(17)15-10)13-11(18)16(8)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,18)(H3,12,14,15,17).
What are the key properties of 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione?
2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione has a molecular weight of 249.27 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 155214717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).