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

C16H20N6 — CID 117086621

IUPAC2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
SMILESCCNc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C16H20N6/c1-4-17-16-20-14(19-12-8-6-5-7-9-12)13-15(21-16)22(10-18-13)11(2)3/h5-11H,4H2,1-3H3,(H2,17,19,20,21)
InChIKeyFSUBQBXNMLODDC-UHFFFAOYSA-N
MW296.38 g/mol
LogP3.58
Rot. Bonds5

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

2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine (PubChem CID 117086621) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
PubChem CID117086621
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
SMILESCCNc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C16H20N6/c1-4-17-16-20-14(19-12-8-6-5-7-9-12)13-15(21-16)22(10-18-13)11(2)3/h5-11H,4H2,1-3H3,(H2,17,19,20,21)
InChIKeyFSUBQBXNMLODDC-UHFFFAOYSA-N
XLogP3.58
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine (CID 117086621) is 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine is CCNc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1.
What is the InChIKey of 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The InChIKey is FSUBQBXNMLODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-4-17-16-20-14(19-12-8-6-5-7-9-12)13-15(21-16)22(10-18-13)11(2)3/h5-11H,4H2,1-3H3,(H2,17,19,20,21).
What are the key properties of 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine has a molecular weight of 296.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117086621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).