6-cyclopentyl-9-ethyl-3H-purin-6-amine

C12H19N5 — CID 18704855

IUPAC6-cyclopentyl-9-ethyl-3H-purin-6-amine
SMILESCCn1cnc2c1NC=NC2(N)C1CCCC1
InChIInChI=1S/C12H19N5/c1-2-17-8-15-10-11(17)14-7-16-12(10,13)9-5-3-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,16)
InChIKeyWVBRGVMNCDUJLS-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.66
Rot. Bonds2

About 6-cyclopentyl-9-ethyl-3H-purin-6-amine

6-cyclopentyl-9-ethyl-3H-purin-6-amine (PubChem CID 18704855) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-cyclopentyl-9-ethyl-3H-purin-6-amine.

Molecular Properties

Compound Name6-cyclopentyl-9-ethyl-3H-purin-6-amine
PubChem CID18704855
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6-cyclopentyl-9-ethyl-3H-purin-6-amine
SMILESCCn1cnc2c1NC=NC2(N)C1CCCC1
InChIInChI=1S/C12H19N5/c1-2-17-8-15-10-11(17)14-7-16-12(10,13)9-5-3-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,16)
InChIKeyWVBRGVMNCDUJLS-UHFFFAOYSA-N
XLogP1.66
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-9-ethyl-3H-purin-6-amine?
The IUPAC name of 6-cyclopentyl-9-ethyl-3H-purin-6-amine (CID 18704855) is 6-cyclopentyl-9-ethyl-3H-purin-6-amine.
What is the SMILES notation for 6-cyclopentyl-9-ethyl-3H-purin-6-amine?
The canonical SMILES for 6-cyclopentyl-9-ethyl-3H-purin-6-amine is CCn1cnc2c1NC=NC2(N)C1CCCC1.
What is the InChIKey of 6-cyclopentyl-9-ethyl-3H-purin-6-amine?
The InChIKey is WVBRGVMNCDUJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-17-8-15-10-11(17)14-7-16-12(10,13)9-5-3-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,16).
What are the key properties of 6-cyclopentyl-9-ethyl-3H-purin-6-amine?
6-cyclopentyl-9-ethyl-3H-purin-6-amine has a molecular weight of 233.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-9-ethyl-3H-purin-6-amine is sourced from PubChem (CID 18704855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).