9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine

C21H27N5 — CID 56977472

IUPAC9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine
SMILESC=CCCCCC(C(C)Cc1ccccc1)n1cnc2c(N)ncnc21
InChIInChI=1S/C21H27N5/c1-3-4-5-9-12-18(16(2)13-17-10-7-6-8-11-17)26-15-25-19-20(22)23-14-24-21(19)26/h3,6-8,10-11,14-16,18H,1,4-5,9,12-13H2,2H3,(H2,22,23,24)
InChIKeyZFKJWFMALIQNDG-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.57
Rot. Bonds9

About 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine

9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine (PubChem CID 56977472) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine.

Molecular Properties

Compound Name9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine
PubChem CID56977472
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine
SMILESC=CCCCCC(C(C)Cc1ccccc1)n1cnc2c(N)ncnc21
InChIInChI=1S/C21H27N5/c1-3-4-5-9-12-18(16(2)13-17-10-7-6-8-11-17)26-15-25-19-20(22)23-14-24-21(19)26/h3,6-8,10-11,14-16,18H,1,4-5,9,12-13H2,2H3,(H2,22,23,24)
InChIKeyZFKJWFMALIQNDG-UHFFFAOYSA-N
XLogP4.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]purin-6-amine
CID 10338866
9-[(2R,3S)-1-(3-ethenylphenyl)-3-phenylmethoxybutan-2-yl]purin-6-amine
CID 22880551
3-(6-aminopurin-9-yl)-4-(4-methylphenyl)butan-2-ol
CID 21460331
9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
CID 67145030
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
9-(1-aminopentyl)purin-6-amine
CID 174938588
6-chloro-9-(1-phenylpropan-2-yl)purine
CID 21152107
(2R,3R)-6-(6-aminopurin-9-yl)-2,3-dimethyloct-7-ene-1,4,5-triol
CID 155409113
1-(6-aminopurin-9-yl)hexane-1,6-diol
CID 67892821
[3-(6-aminopurin-9-yl)-4-[tert-butyl(diphenyl)silyl]oxypentyl] 2,2-dimethylpropanoate
CID 69305722
9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
CID 58657723
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282

Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine?
The IUPAC name of 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine (CID 56977472) is 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine.
What is the SMILES notation for 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine?
The canonical SMILES for 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine is C=CCCCCC(C(C)Cc1ccccc1)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine?
The InChIKey is ZFKJWFMALIQNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-3-4-5-9-12-18(16(2)13-17-10-7-6-8-11-17)26-15-25-19-20(22)23-14-24-21(19)26/h3,6-8,10-11,14-16,18H,1,4-5,9,12-13H2,2H3,(H2,22,23,24).
What are the key properties of 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine?
9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine has a molecular weight of 349.48 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine is sourced from PubChem (CID 56977472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).