9-pentylpurine-2,8-diamine

C10H16N6 — CID 140922061

IUPAC9-pentylpurine-2,8-diamine
SMILESCCCCCn1c(N)nc2cnc(N)nc21
InChIInChI=1S/C10H16N6/c1-2-3-4-5-16-8-7(14-10(16)12)6-13-9(11)15-8/h6H,2-5H2,1H3,(H2,12,14)(H2,11,13,15)
InChIKeyBFNJTROVXZWJCU-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.18
Rot. Bonds4

About 9-pentylpurine-2,8-diamine

9-pentylpurine-2,8-diamine (PubChem CID 140922061) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 9-pentylpurine-2,8-diamine.

Molecular Properties

Compound Name9-pentylpurine-2,8-diamine
PubChem CID140922061
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name9-pentylpurine-2,8-diamine
SMILESCCCCCn1c(N)nc2cnc(N)nc21
InChIInChI=1S/C10H16N6/c1-2-3-4-5-16-8-7(14-10(16)12)6-13-9(11)15-8/h6H,2-5H2,1H3,(H2,12,14)(H2,11,13,15)
InChIKeyBFNJTROVXZWJCU-UHFFFAOYSA-N
XLogP1.18
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-pentylpurine-2,8-diamine 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

1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
9-pentyl-8-N-[3-(trifluoromethyl)phenyl]purine-2,8-diamine
CID 150221688
9-propylpurin-2-amine
CID 58755499
6-methoxy-9-octylpurin-8-amine
CID 115569133
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
2-amino-3-butylquinazolin-4-one
CID 71653207
ethane;9-methylpurin-2-amine
CID 143911812
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289761
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
1-pentylpiperazine;quinazolin-2-amine
CID 175024376

Frequently Asked Questions

What is the IUPAC name of 9-pentylpurine-2,8-diamine?
The IUPAC name of 9-pentylpurine-2,8-diamine (CID 140922061) is 9-pentylpurine-2,8-diamine.
What is the SMILES notation for 9-pentylpurine-2,8-diamine?
The canonical SMILES for 9-pentylpurine-2,8-diamine is CCCCCn1c(N)nc2cnc(N)nc21.
What is the InChIKey of 9-pentylpurine-2,8-diamine?
The InChIKey is BFNJTROVXZWJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-2-3-4-5-16-8-7(14-10(16)12)6-13-9(11)15-8/h6H,2-5H2,1H3,(H2,12,14)(H2,11,13,15).
What are the key properties of 9-pentylpurine-2,8-diamine?
9-pentylpurine-2,8-diamine has a molecular weight of 220.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentylpurine-2,8-diamine is sourced from PubChem (CID 140922061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).