6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine

C17H20N6 — CID 11243768

IUPAC6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine
SMILESc1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23)
InChIKeyFDFMDLSSHFEJOS-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.84
Rot. Bonds4

About 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine (PubChem CID 11243768) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine
PubChem CID11243768
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine
SMILESc1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23)
InChIKeyFDFMDLSSHFEJOS-UHFFFAOYSA-N
XLogP3.84
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine (CID 11243768) is 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine is c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine?
The InChIKey is FDFMDLSSHFEJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23).
What are the key properties of 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine is sourced from PubChem (CID 11243768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).