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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Related Compounds

2-chloro-N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 11001320
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
3-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzonitrile
CID 23917732
9-methyl-6-(methylamino)purine-2-carbonitrile
CID 22972476
N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375
2-iodo-N-phenyl-9-propan-2-ylpurin-6-amine
CID 11794083
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117086621
6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
CID 24778185
4-N-(9-benzyl-2-phenylpurin-6-yl)benzene-1,4-diamine
CID 25104892
(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol
CID 21039974
(E)-N-[3-[[9-ethyl-2-(4-ethylpiperazin-1-yl)purin-6-yl]amino]phenyl]-3-phenylprop-2-enamide
CID 162648970
9-ethyl-N-methylpurin-6-amine
CID 23389288

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).