9-(2-cyclopentylethyl)purin-6-amine

C12H17N5 — CID 123505932

IUPAC9-(2-cyclopentylethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2CCC1CCCC1
InChIInChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H2,13,14,15)
InChIKeyLILSFRDSUADVBR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds3

About 9-(2-cyclopentylethyl)purin-6-amine

9-(2-cyclopentylethyl)purin-6-amine (PubChem CID 123505932) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 9-(2-cyclopentylethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-cyclopentylethyl)purin-6-amine
PubChem CID123505932
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name9-(2-cyclopentylethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2CCC1CCCC1
InChIInChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H2,13,14,15)
InChIKeyLILSFRDSUADVBR-UHFFFAOYSA-N
XLogP1.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-(2-cyclopentylethyl)purin-6-amine 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

9-[2-(azetidin-3-yl)ethyl]purin-6-amine
CID 107391226
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine
CID 66424922
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine
CID 62897064
9-[3-(2,2,2-trifluoroethoxy)propyl]purin-6-amine
CID 55215661
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-pent-4-ynylpurin-6-amine
CID 91098853
9-(2-azidoethyl)purin-6-amine
CID 15216696

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopentylethyl)purin-6-amine?
The IUPAC name of 9-(2-cyclopentylethyl)purin-6-amine (CID 123505932) is 9-(2-cyclopentylethyl)purin-6-amine.
What is the SMILES notation for 9-(2-cyclopentylethyl)purin-6-amine?
The canonical SMILES for 9-(2-cyclopentylethyl)purin-6-amine is Nc1ncnc2c1ncn2CCC1CCCC1.
What is the InChIKey of 9-(2-cyclopentylethyl)purin-6-amine?
The InChIKey is LILSFRDSUADVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H2,13,14,15).
What are the key properties of 9-(2-cyclopentylethyl)purin-6-amine?
9-(2-cyclopentylethyl)purin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopentylethyl)purin-6-amine is sourced from PubChem (CID 123505932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).