2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine

C19H22ClN5 — CID 18473321

IUPAC2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
SMILESClc1nc(NCCCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C19H22ClN5/c20-19-23-17(21-12-6-9-14-7-2-1-3-8-14)16-18(24-19)25(13-22-16)15-10-4-5-11-15/h1-3,7-8,13,15H,4-6,9-12H2,(H,21,23,24)
InChIKeyJRSJDDFYXPJLJF-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.64
Rot. Bonds6

About 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine

2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine (PubChem CID 18473321) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
PubChem CID18473321
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
SMILESClc1nc(NCCCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C19H22ClN5/c20-19-23-17(21-12-6-9-14-7-2-1-3-8-14)16-18(24-19)25(13-22-16)15-10-4-5-11-15/h1-3,7-8,13,15H,4-6,9-12H2,(H,21,23,24)
InChIKeyJRSJDDFYXPJLJF-UHFFFAOYSA-N
XLogP4.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.64
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

2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
N-[(6-bromo-3-pyridinyl)methyl]-2-chloro-9-cyclopentylpurin-6-amine
CID 90332878
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
CID 24778185
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine
CID 117091774
2-amino-4-[[(2S,3S,4R,5R)-5-[2-chloro-6-(3-phenylpropylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
CID 24947951
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
2-chloro-N-[2-[[4-(2-chloroethoxy)phenyl]methoxy]phenyl]-9-cyclopentylpurin-6-amine
CID 11340966
4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine
CID 18473325
3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol
CID 82460488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine?
The IUPAC name of 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine (CID 18473321) is 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine.
What is the SMILES notation for 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine?
The canonical SMILES for 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine is Clc1nc(NCCCc2ccccc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine?
The InChIKey is JRSJDDFYXPJLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c20-19-23-17(21-12-6-9-14-7-2-1-3-8-14)16-18(24-19)25(13-22-16)15-10-4-5-11-15/h1-3,7-8,13,15H,4-6,9-12H2,(H,21,23,24).
What are the key properties of 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine?
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine has a molecular weight of 355.87 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine is sourced from PubChem (CID 18473321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).