6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine

C22H24N8 — CID 117093752

IUPAC6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
SMILESc1ccc(CNc2nc(Nc3cnccn3)nc3c2ncn3C2CCCCC2)cc1
InChIInChI=1S/C22H24N8/c1-3-7-16(8-4-1)13-25-20-19-21(30(15-26-19)17-9-5-2-6-10-17)29-22(28-20)27-18-14-23-11-12-24-18/h1,3-4,7-8,11-12,14-15,17H,2,5-6,9-10,13H2,(H2,24,25,27,28,29)
InChIKeyLTLROKYZGUJHNN-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.48
Rot. Bonds6

About 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine

6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine (PubChem CID 117093752) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
PubChem CID117093752
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
SMILESc1ccc(CNc2nc(Nc3cnccn3)nc3c2ncn3C2CCCCC2)cc1
InChIInChI=1S/C22H24N8/c1-3-7-16(8-4-1)13-25-20-19-21(30(15-26-19)17-9-5-2-6-10-17)29-22(28-20)27-18-14-23-11-12-24-18/h1,3-4,7-8,11-12,14-15,17H,2,5-6,9-10,13H2,(H2,24,25,27,28,29)
InChIKeyLTLROKYZGUJHNN-UHFFFAOYSA-N
XLogP4.48
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine with MolForge

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Related Compounds

6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117089912
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
9-cyclohexyl-2-N-(4-imidazol-1-ylphenyl)-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117089131
1-[3-[[9-cyclohexyl-2-(pyrazin-2-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117085284
6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
CID 24778185
2-N-[(1R,3S)-4-amino-3-fluorocyclohexyl]-6-N-benzyl-9-cyclopentylpurine-2,6-diamine
CID 69348559
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117085764
9-cyclobutyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine
CID 11762052
9-cyclohexyl-2-N-quinolin-6-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117091931
9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117079255

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine?
The IUPAC name of 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine (CID 117093752) is 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine is c1ccc(CNc2nc(Nc3cnccn3)nc3c2ncn3C2CCCCC2)cc1.
What is the InChIKey of 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine?
The InChIKey is LTLROKYZGUJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-3-7-16(8-4-1)13-25-20-19-21(30(15-26-19)17-9-5-2-6-10-17)29-22(28-20)27-18-14-23-11-12-24-18/h1,3-4,7-8,11-12,14-15,17H,2,5-6,9-10,13H2,(H2,24,25,27,28,29).
What are the key properties of 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine?
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine has a molecular weight of 400.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117093752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).