6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile

C18H27N7O — CID 11439739

IUPAC6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile
SMILESCOCCN(C)CCn1cnc2c(NC3CCCCC3)nc(C#N)nc21
InChIInChI=1S/C18H27N7O/c1-24(10-11-26-2)8-9-25-13-20-16-17(21-14-6-4-3-5-7-14)22-15(12-19)23-18(16)25/h13-14H,3-11H2,1-2H3,(H,21,22,23)
InChIKeyDEUHRFYIQWZXMJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.02
Rot. Bonds8

About 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile

6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile (PubChem CID 11439739) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile.

Molecular Properties

Compound Name6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile
PubChem CID11439739
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile
SMILESCOCCN(C)CCn1cnc2c(NC3CCCCC3)nc(C#N)nc21
InChIInChI=1S/C18H27N7O/c1-24(10-11-26-2)8-9-25-13-20-16-17(21-14-6-4-3-5-7-14)22-15(12-19)23-18(16)25/h13-14H,3-11H2,1-2H3,(H,21,22,23)
InChIKeyDEUHRFYIQWZXMJ-UHFFFAOYSA-N
XLogP2.02
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile?
The IUPAC name of 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile (CID 11439739) is 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile.
What is the SMILES notation for 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile?
The canonical SMILES for 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile is COCCN(C)CCn1cnc2c(NC3CCCCC3)nc(C#N)nc21.
What is the InChIKey of 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile?
The InChIKey is DEUHRFYIQWZXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-24(10-11-26-2)8-9-25-13-20-16-17(21-14-6-4-3-5-7-14)22-15(12-19)23-18(16)25/h13-14H,3-11H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile?
6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purine-2-carbonitrile is sourced from PubChem (CID 11439739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).