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

C19H24N6 — CID 11484484

IUPAC6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine
SMILESc1ccc(Nc2nc(NC3CCCCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25)
InChIKeyMSEVQUIRSAPIPS-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.62
Rot. Bonds4

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

6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine (PubChem CID 11484484) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine
PubChem CID11484484
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine
SMILESc1ccc(Nc2nc(NC3CCCCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25)
InChIKeyMSEVQUIRSAPIPS-UHFFFAOYSA-N
XLogP4.62
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine (CID 11484484) is 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine is c1ccc(Nc2nc(NC3CCCCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine?
The InChIKey is MSEVQUIRSAPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25).
What are the key properties of 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine?
6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclooctyl-2-N-phenyl-7H-purine-2,6-diamine is sourced from PubChem (CID 11484484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).