6-(cyclohexylamino)-9-propylpurine-2-carbonitrile

C15H20N6 — CID 24776926

IUPAC6-(cyclohexylamino)-9-propylpurine-2-carbonitrile
SMILESCCCn1cnc2c(NC3CCCCC3)nc(C#N)nc21
InChIInChI=1S/C15H20N6/c1-2-8-21-10-17-13-14(18-11-6-4-3-5-7-11)19-12(9-16)20-15(13)21/h10-11H,2-8H2,1H3,(H,18,19,20)
InChIKeyZHUNGDQXZYMKSH-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.85
Rot. Bonds4

About 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile

6-(cyclohexylamino)-9-propylpurine-2-carbonitrile (PubChem CID 24776926) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile.

Molecular Properties

Compound Name6-(cyclohexylamino)-9-propylpurine-2-carbonitrile
PubChem CID24776926
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name6-(cyclohexylamino)-9-propylpurine-2-carbonitrile
SMILESCCCn1cnc2c(NC3CCCCC3)nc(C#N)nc21
InChIInChI=1S/C15H20N6/c1-2-8-21-10-17-13-14(18-11-6-4-3-5-7-11)19-12(9-16)20-15(13)21/h10-11H,2-8H2,1H3,(H,18,19,20)
InChIKeyZHUNGDQXZYMKSH-UHFFFAOYSA-N
XLogP2.85
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile?
The IUPAC name of 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile (CID 24776926) is 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile.
What is the SMILES notation for 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile?
The canonical SMILES for 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile is CCCn1cnc2c(NC3CCCCC3)nc(C#N)nc21.
What is the InChIKey of 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile?
The InChIKey is ZHUNGDQXZYMKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-2-8-21-10-17-13-14(18-11-6-4-3-5-7-11)19-12(9-16)20-15(13)21/h10-11H,2-8H2,1H3,(H,18,19,20).
What are the key properties of 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile?
6-(cyclohexylamino)-9-propylpurine-2-carbonitrile has a molecular weight of 284.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-9-propylpurine-2-carbonitrile is sourced from PubChem (CID 24776926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).