9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile

C18H24N6 — CID 24778049

IUPAC9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2)c2ncn(C3CCCCC3)c2n1
InChIInChI=1S/C18H24N6/c19-11-15-22-17(21-13-7-3-1-4-8-13)16-18(23-15)24(12-20-16)14-9-5-2-6-10-14/h12-14H,1-10H2,(H,21,22,23)
InChIKeyROMRXCCECCWMGR-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.95
Rot. Bonds3

About 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile

9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile (PubChem CID 24778049) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile.

Molecular Properties

Compound Name9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile
PubChem CID24778049
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2)c2ncn(C3CCCCC3)c2n1
InChIInChI=1S/C18H24N6/c19-11-15-22-17(21-13-7-3-1-4-8-13)16-18(23-15)24(12-20-16)14-9-5-2-6-10-14/h12-14H,1-10H2,(H,21,22,23)
InChIKeyROMRXCCECCWMGR-UHFFFAOYSA-N
XLogP3.95
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile?
The IUPAC name of 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile (CID 24778049) is 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile.
What is the SMILES notation for 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile?
The canonical SMILES for 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile is N#Cc1nc(NC2CCCCC2)c2ncn(C3CCCCC3)c2n1.
What is the InChIKey of 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile?
The InChIKey is ROMRXCCECCWMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c19-11-15-22-17(21-13-7-3-1-4-8-13)16-18(23-15)24(12-20-16)14-9-5-2-6-10-14/h12-14H,1-10H2,(H,21,22,23).
What are the key properties of 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile?
9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-6-(cyclohexylamino)purine-2-carbonitrile is sourced from PubChem (CID 24778049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).