8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine

C17H18ClN5 — CID 11587927

IUPAC8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine
SMILESCn1c(-c2cccc(Cl)c2)nc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C17H18ClN5/c1-23-16(11-5-4-6-12(18)9-11)22-14-15(19-10-20-17(14)23)21-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20,21)
InChIKeyOVFDSJYMTIFUQO-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.04
Rot. Bonds3

About 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine

8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine (PubChem CID 11587927) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine.

Molecular Properties

Compound Name8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine
PubChem CID11587927
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine
SMILESCn1c(-c2cccc(Cl)c2)nc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C17H18ClN5/c1-23-16(11-5-4-6-12(18)9-11)22-14-15(19-10-20-17(14)23)21-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20,21)
InChIKeyOVFDSJYMTIFUQO-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine?
The IUPAC name of 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine (CID 11587927) is 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine.
What is the SMILES notation for 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine?
The canonical SMILES for 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine is Cn1c(-c2cccc(Cl)c2)nc2c(NC3CCCC3)ncnc21.
What is the InChIKey of 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine?
The InChIKey is OVFDSJYMTIFUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c1-23-16(11-5-4-6-12(18)9-11)22-14-15(19-10-20-17(14)23)21-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20,21).
What are the key properties of 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine?
8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine has a molecular weight of 327.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-N-cyclopentyl-9-methylpurin-6-amine is sourced from PubChem (CID 11587927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).