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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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).