6-anilino-9-ethylpurine-2-carbonitrile

C14H12N6 — CID 68620644

IUPAC6-anilino-9-ethylpurine-2-carbonitrile
SMILESCCn1cnc2c(Nc3ccccc3)nc(C#N)nc21
InChIInChI=1S/C14H12N6/c1-2-20-9-16-12-13(17-10-6-4-3-5-7-10)18-11(8-15)19-14(12)20/h3-7,9H,2H2,1H3,(H,17,18,19)
InChIKeyOWXNYUMOYQGGSI-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.46
Rot. Bonds3

About 6-anilino-9-ethylpurine-2-carbonitrile

6-anilino-9-ethylpurine-2-carbonitrile (PubChem CID 68620644) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-anilino-9-ethylpurine-2-carbonitrile.

Molecular Properties

Compound Name6-anilino-9-ethylpurine-2-carbonitrile
PubChem CID68620644
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name6-anilino-9-ethylpurine-2-carbonitrile
SMILESCCn1cnc2c(Nc3ccccc3)nc(C#N)nc21
InChIInChI=1S/C14H12N6/c1-2-20-9-16-12-13(17-10-6-4-3-5-7-10)18-11(8-15)19-14(12)20/h3-7,9H,2H2,1H3,(H,17,18,19)
InChIKeyOWXNYUMOYQGGSI-UHFFFAOYSA-N
XLogP2.46
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-9-ethylpurine-2-carbonitrile?
The IUPAC name of 6-anilino-9-ethylpurine-2-carbonitrile (CID 68620644) is 6-anilino-9-ethylpurine-2-carbonitrile.
What is the SMILES notation for 6-anilino-9-ethylpurine-2-carbonitrile?
The canonical SMILES for 6-anilino-9-ethylpurine-2-carbonitrile is CCn1cnc2c(Nc3ccccc3)nc(C#N)nc21.
What is the InChIKey of 6-anilino-9-ethylpurine-2-carbonitrile?
The InChIKey is OWXNYUMOYQGGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-2-20-9-16-12-13(17-10-6-4-3-5-7-10)18-11(8-15)19-14(12)20/h3-7,9H,2H2,1H3,(H,17,18,19).
What are the key properties of 6-anilino-9-ethylpurine-2-carbonitrile?
6-anilino-9-ethylpurine-2-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-9-ethylpurine-2-carbonitrile is sourced from PubChem (CID 68620644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).