9-cyclopentyl-N-pentylpurin-6-amine

C15H23N5 — CID 142647479

IUPAC9-cyclopentyl-N-pentylpurin-6-amine
SMILESCCCCCNc1ncnc2c1ncn2C1CCCC1
InChIInChI=1S/C15H23N5/c1-2-3-6-9-16-14-13-15(18-10-17-14)20(11-19-13)12-7-4-5-8-12/h10-12H,2-9H2,1H3,(H,16,17,18)
InChIKeyKYCXSZMXGUQEEW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.54
Rot. Bonds6

About 9-cyclopentyl-N-pentylpurin-6-amine

9-cyclopentyl-N-pentylpurin-6-amine (PubChem CID 142647479) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 9-cyclopentyl-N-pentylpurin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-N-pentylpurin-6-amine
PubChem CID142647479
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name9-cyclopentyl-N-pentylpurin-6-amine
SMILESCCCCCNc1ncnc2c1ncn2C1CCCC1
InChIInChI=1S/C15H23N5/c1-2-3-6-9-16-14-13-15(18-10-17-14)20(11-19-13)12-7-4-5-8-12/h10-12H,2-9H2,1H3,(H,16,17,18)
InChIKeyKYCXSZMXGUQEEW-UHFFFAOYSA-N
XLogP3.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
CID 169041252
9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-N-heptylpurin-6-amine
CID 58855570
N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
CID 44591064
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399
2-chloro-7-cyclopentyl-N-pentylpurin-6-amine
CID 82460484
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117079255
9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
CID 166246142
9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine
CID 146140725
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
CID 163344743
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[6-(hexylamino)purin-9-yl]oxolan-2-yl]methyl benzoate
CID 10908507

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-N-pentylpurin-6-amine?
The IUPAC name of 9-cyclopentyl-N-pentylpurin-6-amine (CID 142647479) is 9-cyclopentyl-N-pentylpurin-6-amine.
What is the SMILES notation for 9-cyclopentyl-N-pentylpurin-6-amine?
The canonical SMILES for 9-cyclopentyl-N-pentylpurin-6-amine is CCCCCNc1ncnc2c1ncn2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-N-pentylpurin-6-amine?
The InChIKey is KYCXSZMXGUQEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-3-6-9-16-14-13-15(18-10-17-14)20(11-19-13)12-7-4-5-8-12/h10-12H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 9-cyclopentyl-N-pentylpurin-6-amine?
9-cyclopentyl-N-pentylpurin-6-amine has a molecular weight of 273.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-N-pentylpurin-6-amine is sourced from PubChem (CID 142647479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).