8-cyclohexyl-6-methyl-7H-purine

C12H16N4 — CID 20698028

IUPAC8-cyclohexyl-6-methyl-7H-purine
SMILESCc1ncnc2nc(C3CCCCC3)[nH]c12
InChIInChI=1S/C12H16N4/c1-8-10-12(14-7-13-8)16-11(15-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyANSHLWFMEHJHFW-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.71
Rot. Bonds1

About 8-cyclohexyl-6-methyl-7H-purine

8-cyclohexyl-6-methyl-7H-purine (PubChem CID 20698028) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 8-cyclohexyl-6-methyl-7H-purine.

Molecular Properties

Compound Name8-cyclohexyl-6-methyl-7H-purine
PubChem CID20698028
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name8-cyclohexyl-6-methyl-7H-purine
SMILESCc1ncnc2nc(C3CCCCC3)[nH]c12
InChIInChI=1S/C12H16N4/c1-8-10-12(14-7-13-8)16-11(15-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyANSHLWFMEHJHFW-UHFFFAOYSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-6-methyl-7H-purine?
The IUPAC name of 8-cyclohexyl-6-methyl-7H-purine (CID 20698028) is 8-cyclohexyl-6-methyl-7H-purine.
What is the SMILES notation for 8-cyclohexyl-6-methyl-7H-purine?
The canonical SMILES for 8-cyclohexyl-6-methyl-7H-purine is Cc1ncnc2nc(C3CCCCC3)[nH]c12.
What is the InChIKey of 8-cyclohexyl-6-methyl-7H-purine?
The InChIKey is ANSHLWFMEHJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-10-12(14-7-13-8)16-11(15-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15,16).
What are the key properties of 8-cyclohexyl-6-methyl-7H-purine?
8-cyclohexyl-6-methyl-7H-purine has a molecular weight of 216.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-6-methyl-7H-purine is sourced from PubChem (CID 20698028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).