N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine

C17H18FN5 — CID 11536894

IUPACN-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine
SMILESCn1c(-c2ccc(F)cc2)nc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C17H18FN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
InChIKeyMCGGJXHWTYMESK-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.52
Rot. Bonds3

About N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine

N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine (PubChem CID 11536894) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine
PubChem CID11536894
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC NameN-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine
SMILESCn1c(-c2ccc(F)cc2)nc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C17H18FN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
InChIKeyMCGGJXHWTYMESK-UHFFFAOYSA-N
XLogP3.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine?
The IUPAC name of N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine (CID 11536894) is N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine.
What is the SMILES notation for N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine?
The canonical SMILES for N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine is Cn1c(-c2ccc(F)cc2)nc2c(NC3CCCC3)ncnc21.
What is the InChIKey of N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine?
The InChIKey is MCGGJXHWTYMESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21).
What are the key properties of N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine?
N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine has a molecular weight of 311.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-(4-fluorophenyl)-9-methylpurin-6-amine is sourced from PubChem (CID 11536894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).