3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol

C13H18ClN5O — CID 82460488

IUPAC3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol
SMILESOCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12
InChIInChI=1S/C13H18ClN5O/c14-13-17-11(15-6-3-7-20)10-12(18-13)16-8-19(10)9-4-1-2-5-9/h8-9,20H,1-7H2,(H,15,17,18)
InChIKeyGGCJHCWTQHVOSP-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.39
Rot. Bonds5

About 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol

3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol (PubChem CID 82460488) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol
PubChem CID82460488
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol
SMILESOCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12
InChIInChI=1S/C13H18ClN5O/c14-13-17-11(15-6-3-7-20)10-12(18-13)16-8-19(10)9-4-1-2-5-9/h8-9,20H,1-7H2,(H,15,17,18)
InChIKeyGGCJHCWTQHVOSP-UHFFFAOYSA-N
XLogP2.39
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-cyclopentyl-N-pentylpurin-6-amine
CID 82460484
2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine
CID 82460490
2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
CID 82460473
2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol
CID 82460403
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
2-chloro-7-methyl-N-(4-pyrrolidin-1-ylbutyl)purin-6-amine
CID 82460201
N-(2-chloro-7-ethylpurin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82460256
2-chloro-N-pentyl-7-propan-2-ylpurin-6-amine
CID 82460304
2-chloro-N-cycloheptyl-7-methylpurin-6-amine
CID 82460223
2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine
CID 90318644
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol (CID 82460488) is 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol is OCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12.
What is the InChIKey of 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol?
The InChIKey is GGCJHCWTQHVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c14-13-17-11(15-6-3-7-20)10-12(18-13)16-8-19(10)9-4-1-2-5-9/h8-9,20H,1-7H2,(H,15,17,18).
What are the key properties of 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol?
3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol has a molecular weight of 295.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol is sourced from PubChem (CID 82460488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).