8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine

C19H22FN5 — CID 57488418

IUPAC8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine
SMILESCCCn1c(-c2ccc(F)cc2)nc2c(N3CCCC3)nc(C)nc21
InChIInChI=1S/C19H22FN5/c1-3-10-25-17(14-6-8-15(20)9-7-14)23-16-18(24-11-4-5-12-24)21-13(2)22-19(16)25/h6-9H,3-5,10-12H2,1-2H3
InChIKeyJKJNJUJRLSGTJJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.95
Rot. Bonds4

About 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine

8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine (PubChem CID 57488418) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine
PubChem CID57488418
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine
SMILESCCCn1c(-c2ccc(F)cc2)nc2c(N3CCCC3)nc(C)nc21
InChIInChI=1S/C19H22FN5/c1-3-10-25-17(14-6-8-15(20)9-7-14)23-16-18(24-11-4-5-12-24)21-13(2)22-19(16)25/h6-9H,3-5,10-12H2,1-2H3
InChIKeyJKJNJUJRLSGTJJ-UHFFFAOYSA-N
XLogP3.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine?
The IUPAC name of 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine (CID 57488418) is 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine.
What is the SMILES notation for 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine?
The canonical SMILES for 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine is CCCn1c(-c2ccc(F)cc2)nc2c(N3CCCC3)nc(C)nc21.
What is the InChIKey of 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine?
The InChIKey is JKJNJUJRLSGTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-3-10-25-17(14-6-8-15(20)9-7-14)23-16-18(24-11-4-5-12-24)21-13(2)22-19(16)25/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine?
8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine has a molecular weight of 339.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine is sourced from PubChem (CID 57488418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).