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

C15H22ClN5 — CID 82460484

IUPAC2-chloro-7-cyclopentyl-N-pentylpurin-6-amine
SMILESCCCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12
InChIInChI=1S/C15H22ClN5/c1-2-3-6-9-17-13-12-14(20-15(16)19-13)18-10-21(12)11-7-4-5-8-11/h10-11H,2-9H2,1H3,(H,17,19,20)
InChIKeyUCWZKHPATGSEMJ-UHFFFAOYSA-N
MW307.83 g/mol
LogP4.20
Rot. Bonds6

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

2-chloro-7-cyclopentyl-N-pentylpurin-6-amine (PubChem CID 82460484) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 2-chloro-7-cyclopentyl-N-pentylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-7-cyclopentyl-N-pentylpurin-6-amine
PubChem CID82460484
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name2-chloro-7-cyclopentyl-N-pentylpurin-6-amine
SMILESCCCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12
InChIInChI=1S/C15H22ClN5/c1-2-3-6-9-17-13-12-14(20-15(16)19-13)18-10-21(12)11-7-4-5-8-11/h10-11H,2-9H2,1H3,(H,17,19,20)
InChIKeyUCWZKHPATGSEMJ-UHFFFAOYSA-N
XLogP4.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 54.20
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

3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol
CID 82460488
2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
CID 82460473
2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine
CID 82460490
2-chloro-N-pentyl-7-propan-2-ylpurin-6-amine
CID 82460304
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
2-chloro-7-methyl-N-(4-pyrrolidin-1-ylbutyl)purin-6-amine
CID 82460201
2-chloro-N-octylpteridin-4-amine
CID 82459563
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
N-(2-chloro-7-ethylpurin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82460256
2-chloro-9-cyclopentyl-N-(4-pentylpiperidin-1-yl)purin-6-amine;N-propylpropan-1-amine
CID 18001693
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399
2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol
CID 82460403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopentyl-N-pentylpurin-6-amine?
The IUPAC name of 2-chloro-7-cyclopentyl-N-pentylpurin-6-amine (CID 82460484) is 2-chloro-7-cyclopentyl-N-pentylpurin-6-amine.
What is the SMILES notation for 2-chloro-7-cyclopentyl-N-pentylpurin-6-amine?
The canonical SMILES for 2-chloro-7-cyclopentyl-N-pentylpurin-6-amine is CCCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12.
What is the InChIKey of 2-chloro-7-cyclopentyl-N-pentylpurin-6-amine?
The InChIKey is UCWZKHPATGSEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-2-3-6-9-17-13-12-14(20-15(16)19-13)18-10-21(12)11-7-4-5-8-11/h10-11H,2-9H2,1H3,(H,17,19,20).
What are the key properties of 2-chloro-7-cyclopentyl-N-pentylpurin-6-amine?
2-chloro-7-cyclopentyl-N-pentylpurin-6-amine has a molecular weight of 307.83 g/mol, XLogP of 4.20, 6 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-pentylpurin-6-amine is sourced from PubChem (CID 82460484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).