2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine

C14H20ClN5O — CID 82460490

IUPAC2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine
SMILESCOCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12
InChIInChI=1S/C14H20ClN5O/c1-21-8-4-7-16-12-11-13(19-14(15)18-12)17-9-20(11)10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,16,18,19)
InChIKeyQHMOLYDECZJCFP-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.04
Rot. Bonds6

About 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine

2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine (PubChem CID 82460490) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine
PubChem CID82460490
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine
SMILESCOCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12
InChIInChI=1S/C14H20ClN5O/c1-21-8-4-7-16-12-11-13(19-14(15)18-12)17-9-20(11)10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,16,18,19)
InChIKeyQHMOLYDECZJCFP-UHFFFAOYSA-N
XLogP3.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.04
H-Bond Donors ≤ 51
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
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-methyl-N-(4-pyrrolidin-1-ylbutyl)purin-6-amine
CID 82460201
9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine
CID 141012555
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
2-chloro-7-(3-methoxypropyl)purin-6-amine
CID 82460521
2-chloro-N-pentyl-7-propan-2-ylpurin-6-amine
CID 82460304
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
N-(2-chloro-7-ethylpurin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82460256
2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
CID 79633123
2-chloro-N-cycloheptyl-7-methylpurin-6-amine
CID 82460223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine?
The IUPAC name of 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine (CID 82460490) is 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine.
What is the SMILES notation for 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine?
The canonical SMILES for 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine is COCCCNc1nc(Cl)nc2ncn(C3CCCC3)c12.
What is the InChIKey of 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine?
The InChIKey is QHMOLYDECZJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-21-8-4-7-16-12-11-13(19-14(15)18-12)17-9-20(11)10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,16,18,19).
What are the key properties of 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine?
2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine has a molecular weight of 309.80 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine is sourced from PubChem (CID 82460490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).