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

C17H20N6 — CID 117080255

IUPAC6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NC3CC3)nc(Nc3ccccc3)nc21
InChIInChI=1S/C17H20N6/c1-11(2)23-10-18-14-15(19-13-8-9-13)21-17(22-16(14)23)20-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H2,19,20,21,22)
InChIKeyCZTIVXORYVKARG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.73
Rot. Bonds5

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

6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine (PubChem CID 117080255) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
PubChem CID117080255
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NC3CC3)nc(Nc3ccccc3)nc21
InChIInChI=1S/C17H20N6/c1-11(2)23-10-18-14-15(19-13-8-9-13)21-17(22-16(14)23)20-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H2,19,20,21,22)
InChIKeyCZTIVXORYVKARG-UHFFFAOYSA-N
XLogP3.73
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine (CID 117080255) is 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(NC3CC3)nc(Nc3ccccc3)nc21.
What is the InChIKey of 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The InChIKey is CZTIVXORYVKARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-11(2)23-10-18-14-15(19-13-8-9-13)21-17(22-16(14)23)20-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117080255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).