6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine

C23H19N7 — CID 117080182

IUPAC6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
SMILESc1ccc(-n2cnc3c(NC4CC4)nc(Nc4ccc5ncccc5c4)nc32)cc1
InChIInChI=1S/C23H19N7/c1-2-6-18(7-3-1)30-14-25-20-21(26-16-8-9-16)28-23(29-22(20)30)27-17-10-11-19-15(13-17)5-4-12-24-19/h1-7,10-14,16H,8-9H2,(H2,26,27,28,29)
InChIKeyHFHZVOVPANGDMD-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.68
Rot. Bonds5

About 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine

6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine (PubChem CID 117080182) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
PubChem CID117080182
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
SMILESc1ccc(-n2cnc3c(NC4CC4)nc(Nc4ccc5ncccc5c4)nc32)cc1
InChIInChI=1S/C23H19N7/c1-2-6-18(7-3-1)30-14-25-20-21(26-16-8-9-16)28-23(29-22(20)30)27-17-10-11-19-15(13-17)5-4-12-24-19/h1-7,10-14,16H,8-9H2,(H2,26,27,28,29)
InChIKeyHFHZVOVPANGDMD-UHFFFAOYSA-N
XLogP4.68
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine (CID 117080182) is 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine is c1ccc(-n2cnc3c(NC4CC4)nc(Nc4ccc5ncccc5c4)nc32)cc1.
What is the InChIKey of 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine?
The InChIKey is HFHZVOVPANGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c1-2-6-18(7-3-1)30-14-25-20-21(26-16-8-9-16)28-23(29-22(20)30)27-17-10-11-19-15(13-17)5-4-12-24-19/h1-7,10-14,16H,8-9H2,(H2,26,27,28,29).
What are the key properties of 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine?
6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine has a molecular weight of 393.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine is sourced from PubChem (CID 117080182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).