1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one

C24H24N6O2 — CID 117084319

IUPAC1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nc(Nc3ccccc3)c3ncn(CCN4CCCC4=O)c3n2)cc1
InChIInChI=1S/C24H24N6O2/c1-32-19-11-9-17(10-12-19)22-27-23(26-18-6-3-2-4-7-18)21-24(28-22)30(16-25-21)15-14-29-13-5-8-20(29)31/h2-4,6-7,9-12,16H,5,8,13-15H2,1H3,(H,26,27,28)
InChIKeyVSCSITYEIIHQQJ-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.87
Rot. Bonds7

About 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one

1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one (PubChem CID 117084319) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one
PubChem CID117084319
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nc(Nc3ccccc3)c3ncn(CCN4CCCC4=O)c3n2)cc1
InChIInChI=1S/C24H24N6O2/c1-32-19-11-9-17(10-12-19)22-27-23(26-18-6-3-2-4-7-18)21-24(28-22)30(16-25-21)15-14-29-13-5-8-20(29)31/h2-4,6-7,9-12,16H,5,8,13-15H2,1H3,(H,26,27,28)
InChIKeyVSCSITYEIIHQQJ-UHFFFAOYSA-N
XLogP3.87
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[2-(6-methoxy-3-pyridinyl)-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117082665
1-[2-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117080612
1-[2-[2-(3-acetylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]purin-9-yl]ethyl]pyrrolidin-2-one
CID 117086122
2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine
CID 117085593
1-[2-[2-(3-aminophenyl)-6-(benzylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117081764
1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one
CID 117093175
N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide
CID 117079484
1-[2-[6-(benzylamino)-2-thiophen-2-ylpurin-9-yl]ethyl]pyrrolidin-2-one
CID 117089731
1-[2-[2-(3-acetylphenyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117087785
4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-9-phenylpurin-2-yl]benzamide
CID 117082227
1-[2-[2-[(2-methylpyrazol-3-yl)amino]-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117092064
1-[2-[2-(1-benzothiophen-3-yl)-6-(benzylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117090977

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one (CID 117084319) is 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one is COc1ccc(-c2nc(Nc3ccccc3)c3ncn(CCN4CCCC4=O)c3n2)cc1.
What is the InChIKey of 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one?
The InChIKey is VSCSITYEIIHQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-19-11-9-17(10-12-19)22-27-23(26-18-6-3-2-4-7-18)21-24(28-22)30(16-25-21)15-14-29-13-5-8-20(29)31/h2-4,6-7,9-12,16H,5,8,13-15H2,1H3,(H,26,27,28).
What are the key properties of 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one?
1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one has a molecular weight of 428.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 117084319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).