2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine

C17H19ClN6 — CID 18473403

IUPAC2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine
SMILESCCN(c1cccnc1)c1nc(Cl)nc2c1ncn2C1CCCC1
InChIInChI=1S/C17H19ClN6/c1-2-23(13-8-5-9-19-10-13)15-14-16(22-17(18)21-15)24(11-20-14)12-6-3-4-7-12/h5,8-12H,2-4,6-7H2,1H3
InChIKeyATCDYOZUIDZNSG-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.15
Rot. Bonds4

About 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine

2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine (PubChem CID 18473403) has the molecular formula C17H19ClN6 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine
PubChem CID18473403
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine
SMILESCCN(c1cccnc1)c1nc(Cl)nc2c1ncn2C1CCCC1
InChIInChI=1S/C17H19ClN6/c1-2-23(13-8-5-9-19-10-13)15-14-16(22-17(18)21-15)24(11-20-14)12-6-3-4-7-12/h5,8-12H,2-4,6-7H2,1H3
InChIKeyATCDYOZUIDZNSG-UHFFFAOYSA-N
XLogP4.15
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2-chlorophenyl)hydrazine
CID 18001860
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-ethyl-6-N-pyridin-4-ylpurine-2,6-diamine;hydrochloride
CID 142647471
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
N-[(6-bromo-3-pyridinyl)methyl]-2-chloro-9-cyclopentylpurin-6-amine
CID 90332878
2-chloro-9-cyclobutylpurine
CID 174912111
N-[4-[(2-chloro-9-cyclohexylpurin-6-yl)amino]phenyl]acetamide
CID 117089119
9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117079255
N-butylbutan-1-amine;2-chloro-9-cyclopentyl-N-(4-ethylpiperidin-1-yl)purin-6-amine
CID 18002086
2-chloro-N-[2-[[4-(2-chloroethoxy)phenyl]methoxy]phenyl]-9-cyclopentylpurin-6-amine
CID 11340966
2-chloro-9-cyclopentyl-N-(4-pentylpiperidin-1-yl)purin-6-amine;N-propylpropan-1-amine
CID 18001693
9-cyclohexyl-2-N-(4-imidazol-1-ylphenyl)-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117089131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine?
The IUPAC name of 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine (CID 18473403) is 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine.
What is the SMILES notation for 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine?
The canonical SMILES for 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine is CCN(c1cccnc1)c1nc(Cl)nc2c1ncn2C1CCCC1.
What is the InChIKey of 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine?
The InChIKey is ATCDYOZUIDZNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6/c1-2-23(13-8-5-9-19-10-13)15-14-16(22-17(18)21-15)24(11-20-14)12-6-3-4-7-12/h5,8-12H,2-4,6-7H2,1H3.
What are the key properties of 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine?
2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine has a molecular weight of 342.83 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclopentyl-N-ethyl-N-pyridin-3-ylpurin-6-amine is sourced from PubChem (CID 18473403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).