9-pentan-3-ylpurin-2-amine

C10H15N5 — CID 139448079

IUPAC9-pentan-3-ylpurin-2-amine
SMILESCCC(CC)n1cnc2cnc(N)nc21
InChIInChI=1S/C10H15N5/c1-3-7(4-2)15-6-13-8-5-12-10(11)14-9(8)15/h5-7H,3-4H2,1-2H3,(H2,11,12,14)
InChIKeyLAZPPSWQVHPYKV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.77
Rot. Bonds3

About 9-pentan-3-ylpurin-2-amine

9-pentan-3-ylpurin-2-amine (PubChem CID 139448079) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 9-pentan-3-ylpurin-2-amine.

Molecular Properties

Compound Name9-pentan-3-ylpurin-2-amine
PubChem CID139448079
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name9-pentan-3-ylpurin-2-amine
SMILESCCC(CC)n1cnc2cnc(N)nc21
InChIInChI=1S/C10H15N5/c1-3-7(4-2)15-6-13-8-5-12-10(11)14-9(8)15/h5-7H,3-4H2,1-2H3,(H2,11,12,14)
InChIKeyLAZPPSWQVHPYKV-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;9-methylpurin-2-amine
CID 143911812
9-propylpurin-2-amine
CID 58755499
2-(2-aminopurin-9-yl)ethanol;ethane
CID 142975458
9-(3-ethoxypropoxy)purin-2-amine
CID 10105575
2-chloro-9-pentan-3-ylpurin-6-amine
CID 170238061
9-ethenylpurin-2-amine
CID 22555835
(2-aminopurin-9-yl) methanesulfonate
CID 174832428
9-butan-2-yl-N,N-dimethylpurin-2-amine
CID 142386497
[2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol
CID 57158718
2-methyl-9-propan-2-ylpurine
CID 24903832
2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol
CID 162641502
3-pentan-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79290142

Frequently Asked Questions

What is the IUPAC name of 9-pentan-3-ylpurin-2-amine?
The IUPAC name of 9-pentan-3-ylpurin-2-amine (CID 139448079) is 9-pentan-3-ylpurin-2-amine.
What is the SMILES notation for 9-pentan-3-ylpurin-2-amine?
The canonical SMILES for 9-pentan-3-ylpurin-2-amine is CCC(CC)n1cnc2cnc(N)nc21.
What is the InChIKey of 9-pentan-3-ylpurin-2-amine?
The InChIKey is LAZPPSWQVHPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-3-7(4-2)15-6-13-8-5-12-10(11)14-9(8)15/h5-7H,3-4H2,1-2H3,(H2,11,12,14).
What are the key properties of 9-pentan-3-ylpurin-2-amine?
9-pentan-3-ylpurin-2-amine has a molecular weight of 205.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentan-3-ylpurin-2-amine is sourced from PubChem (CID 139448079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).