2-chloro-7-cyclopentyl-N-ethylpurin-6-amine

C12H16ClN5 — CID 82460473

IUPAC2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
SMILESCCNc1nc(Cl)nc2ncn(C3CCCC3)c12
InChIInChI=1S/C12H16ClN5/c1-2-14-10-9-11(17-12(13)16-10)15-7-18(9)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,14,16,17)
InChIKeyPVUJYEYZBQOMER-UHFFFAOYSA-N
MW265.75 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine

2-chloro-7-cyclopentyl-N-ethylpurin-6-amine (PubChem CID 82460473) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
PubChem CID82460473
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
SMILESCCNc1nc(Cl)nc2ncn(C3CCCC3)c12
InChIInChI=1S/C12H16ClN5/c1-2-14-10-9-11(17-12(13)16-10)15-7-18(9)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,14,16,17)
InChIKeyPVUJYEYZBQOMER-UHFFFAOYSA-N
XLogP3.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine?
The IUPAC name of 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine (CID 82460473) is 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine.
What is the SMILES notation for 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine?
The canonical SMILES for 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine is CCNc1nc(Cl)nc2ncn(C3CCCC3)c12.
What is the InChIKey of 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine?
The InChIKey is PVUJYEYZBQOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-2-14-10-9-11(17-12(13)16-10)15-7-18(9)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,14,16,17).
What are the key properties of 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine?
2-chloro-7-cyclopentyl-N-ethylpurin-6-amine has a molecular weight of 265.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclopentyl-N-ethylpurin-6-amine is sourced from PubChem (CID 82460473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).