9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine

C20H20N6 — CID 18332703

IUPAC9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
SMILESNc1nc(NCCc2ccccc2)nc2c1ncn2Cc1ccccc1
InChIInChI=1S/C20H20N6/c21-18-17-19(26(14-23-17)13-16-9-5-2-6-10-16)25-20(24-18)22-12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H3,21,22,24,25)
InChIKeyRUZBGTMQAVNSOF-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.11
Rot. Bonds6

About 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine

9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine (PubChem CID 18332703) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine.

Molecular Properties

Compound Name9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
PubChem CID18332703
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
SMILESNc1nc(NCCc2ccccc2)nc2c1ncn2Cc1ccccc1
InChIInChI=1S/C20H20N6/c21-18-17-19(26(14-23-17)13-16-9-5-2-6-10-16)25-20(24-18)22-12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H3,21,22,24,25)
InChIKeyRUZBGTMQAVNSOF-UHFFFAOYSA-N
XLogP3.11
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-benzyl-2-N-propylpurine-2,6-diamine
CID 18332707
9-benzyl-2-N-phenylpurine-2,6-diamine
CID 18332798
9-benzyl-2-N-butan-2-ylpurine-2,6-diamine
CID 18332812
2-N-benzyl-9-prop-2-ynylpurine-2,6-diamine
CID 140535355
9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine
CID 18440348
[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]methyl-methyl-oxophosphanium
CID 71133718
3-[4-[2-[(6-amino-9-methylpurin-2-yl)amino]ethyl]phenyl]propanoic acid
CID 155061375
methyl 2-[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]acetate
CID 160871672
3-(6-amino-9-benzylpurin-2-yl)oxypropan-1-ol
CID 18332714
methyl 4-[[6-amino-2-(ethylamino)purin-9-yl]methyl]benzoate
CID 138700928
9-benzyl-2-(4-methylphenyl)sulfanylpurin-6-amine
CID 18332690
(1R,2S,3R,5S)-3-[6-amino-2-(2-phenylethylamino)purin-9-yl]-5-(4-methylpyrazol-1-yl)cyclopentane-1,2-diol
CID 11546563

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine?
The IUPAC name of 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine (CID 18332703) is 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine.
What is the SMILES notation for 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine?
The canonical SMILES for 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine is Nc1nc(NCCc2ccccc2)nc2c1ncn2Cc1ccccc1.
What is the InChIKey of 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine?
The InChIKey is RUZBGTMQAVNSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c21-18-17-19(26(14-23-17)13-16-9-5-2-6-10-16)25-20(24-18)22-12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H3,21,22,24,25).
What are the key properties of 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine?
9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine has a molecular weight of 344.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine is sourced from PubChem (CID 18332703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).