2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine

C18H19F2N5O — CID 155803649

IUPAC2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine
SMILESCNc1nc(OC2CCCC2)nc2c1ncn2Cc1c(F)cccc1F
InChIInChI=1S/C18H19F2N5O/c1-21-16-15-17(24-18(23-16)26-11-5-2-3-6-11)25(10-22-15)9-12-13(19)7-4-8-14(12)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,21,23,24)
InChIKeyAWZRHMXFDZUHLF-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.52
Rot. Bonds5

About 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine

2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine (PubChem CID 155803649) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine.

Molecular Properties

Compound Name2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine
PubChem CID155803649
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Name2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine
SMILESCNc1nc(OC2CCCC2)nc2c1ncn2Cc1c(F)cccc1F
InChIInChI=1S/C18H19F2N5O/c1-21-16-15-17(24-18(23-16)26-11-5-2-3-6-11)25(10-22-15)9-12-13(19)7-4-8-14(12)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,21,23,24)
InChIKeyAWZRHMXFDZUHLF-UHFFFAOYSA-N
XLogP3.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine?
The IUPAC name of 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine (CID 155803649) is 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine.
What is the SMILES notation for 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine?
The canonical SMILES for 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine is CNc1nc(OC2CCCC2)nc2c1ncn2Cc1c(F)cccc1F.
What is the InChIKey of 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine?
The InChIKey is AWZRHMXFDZUHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-21-16-15-17(24-18(23-16)26-11-5-2-3-6-11)25(10-22-15)9-12-13(19)7-4-8-14(12)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,21,23,24).
What are the key properties of 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine?
2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine has a molecular weight of 359.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-9-[(2,6-difluorophenyl)methyl]-N-methylpurin-6-amine is sourced from PubChem (CID 155803649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).