2-chloro-9-pentan-3-ylpurin-6-amine

C10H14ClN5 — CID 170238061

IUPAC2-chloro-9-pentan-3-ylpurin-6-amine
SMILESCCC(CC)n1cnc2c(N)nc(Cl)nc21
InChIInChI=1S/C10H14ClN5/c1-3-6(4-2)16-5-13-7-8(12)14-10(11)15-9(7)16/h5-6H,3-4H2,1-2H3,(H2,12,14,15)
InChIKeyUSJPHYNNKROIEN-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.42
Rot. Bonds3

About 2-chloro-9-pentan-3-ylpurin-6-amine

2-chloro-9-pentan-3-ylpurin-6-amine (PubChem CID 170238061) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-chloro-9-pentan-3-ylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-9-pentan-3-ylpurin-6-amine
PubChem CID170238061
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name2-chloro-9-pentan-3-ylpurin-6-amine
SMILESCCC(CC)n1cnc2c(N)nc(Cl)nc21
InChIInChI=1S/C10H14ClN5/c1-3-6(4-2)16-5-13-7-8(12)14-10(11)15-9(7)16/h5-6H,3-4H2,1-2H3,(H2,12,14,15)
InChIKeyUSJPHYNNKROIEN-UHFFFAOYSA-N
XLogP2.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-amino-2-chloropurin-9-yl)-2,2,2-trichloroethyl]-ethylcarbamic acid
CID 175058878
9-(aminomethyl)-2-chloropurin-6-amine
CID 156571755
4-(6-amino-2-chloropurin-9-yl)-2-ethylbutan-1-ol;ethane
CID 145388425
1-(6-amino-2-chloropurin-9-yl)-2-[(1R,2S)-1-(hydroxymethyl)-2-methylcyclopropyl]ethane-1,2-diol
CID 174156693
9-pentan-3-ylpurin-2-amine
CID 139448079
5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine
CID 87179929
[1-(6-amino-2-chloropurin-9-yl)-2,2,2-trichloroethyl]-benzylcarbamic acid
CID 175058256
2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine
CID 134895588
9-(1-aminoethyl)purine-2,6-diamine
CID 166965678
2-[(2R,3R,4S)-4-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxy-2-methoxybutoxy]propanedioic acid
CID 166843793
2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine
CID 58049084
2-ethynyl-9-(2-methylpentan-3-yl)purin-6-amine
CID 130346422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-pentan-3-ylpurin-6-amine?
The IUPAC name of 2-chloro-9-pentan-3-ylpurin-6-amine (CID 170238061) is 2-chloro-9-pentan-3-ylpurin-6-amine.
What is the SMILES notation for 2-chloro-9-pentan-3-ylpurin-6-amine?
The canonical SMILES for 2-chloro-9-pentan-3-ylpurin-6-amine is CCC(CC)n1cnc2c(N)nc(Cl)nc21.
What is the InChIKey of 2-chloro-9-pentan-3-ylpurin-6-amine?
The InChIKey is USJPHYNNKROIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-3-6(4-2)16-5-13-7-8(12)14-10(11)15-9(7)16/h5-6H,3-4H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-chloro-9-pentan-3-ylpurin-6-amine?
2-chloro-9-pentan-3-ylpurin-6-amine has a molecular weight of 239.71 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-pentan-3-ylpurin-6-amine is sourced from PubChem (CID 170238061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).