2-cyclohexyl-7H-purine

C11H14N4 — CID 70401170

IUPAC2-cyclohexyl-7H-purine
SMILESc1nc2nc(C3CCCCC3)ncc2[nH]1
InChIInChI=1S/C11H14N4/c1-2-4-8(5-3-1)10-12-6-9-11(15-10)14-7-13-9/h6-8H,1-5H2,(H,12,13,14,15)
InChIKeySKMXEZQHTSOHMR-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.40
Rot. Bonds1

About 2-cyclohexyl-7H-purine

2-cyclohexyl-7H-purine (PubChem CID 70401170) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-cyclohexyl-7H-purine.

Molecular Properties

Compound Name2-cyclohexyl-7H-purine
PubChem CID70401170
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-cyclohexyl-7H-purine
SMILESc1nc2nc(C3CCCCC3)ncc2[nH]1
InChIInChI=1S/C11H14N4/c1-2-4-8(5-3-1)10-12-6-9-11(15-10)14-7-13-9/h6-8H,1-5H2,(H,12,13,14,15)
InChIKeySKMXEZQHTSOHMR-UHFFFAOYSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7H-purine?
The IUPAC name of 2-cyclohexyl-7H-purine (CID 70401170) is 2-cyclohexyl-7H-purine.
What is the SMILES notation for 2-cyclohexyl-7H-purine?
The canonical SMILES for 2-cyclohexyl-7H-purine is c1nc2nc(C3CCCCC3)ncc2[nH]1.
What is the InChIKey of 2-cyclohexyl-7H-purine?
The InChIKey is SKMXEZQHTSOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-4-8(5-3-1)10-12-6-9-11(15-10)14-7-13-9/h6-8H,1-5H2,(H,12,13,14,15).
What are the key properties of 2-cyclohexyl-7H-purine?
2-cyclohexyl-7H-purine has a molecular weight of 202.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7H-purine is sourced from PubChem (CID 70401170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).