1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one

C17H19N7O — CID 117093175

IUPAC1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one
SMILESNc1nc(Nc2ccccc2)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C17H19N7O/c18-15-14-16(22-17(21-15)20-12-5-2-1-3-6-12)24(11-19-14)10-9-23-8-4-7-13(23)25/h1-3,5-6,11H,4,7-10H2,(H3,18,20,21,22)
InChIKeyITKDQKLAJDHGME-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.77
Rot. Bonds5

About 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one

1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one (PubChem CID 117093175) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one
PubChem CID117093175
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one
SMILESNc1nc(Nc2ccccc2)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C17H19N7O/c18-15-14-16(22-17(21-15)20-12-5-2-1-3-6-12)24(11-19-14)10-9-23-8-4-7-13(23)25/h1-3,5-6,11H,4,7-10H2,(H3,18,20,21,22)
InChIKeyITKDQKLAJDHGME-UHFFFAOYSA-N
XLogP1.77
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117086924
9-benzyl-2-N-phenylpurine-2,6-diamine
CID 18332798
1-[2-[6-(benzylamino)-2-[3-(dimethylamino)anilino]purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079929
1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117084319
1-[2-[2-[(2-methylpyrazol-3-yl)amino]-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117092064
1-[2-[6-(4-morpholin-4-ylanilino)-2-(pyrimidin-2-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079279
1-[2-[6-(4-morpholin-4-ylanilino)-2-(2-morpholin-4-ylethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117083487
1-[2-[2-(3-aminophenyl)-6-(benzylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117081764
1-[2-[6-[(1-benzylpiperidin-4-yl)amino]-2-(3,4,5-trimethoxyanilino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117080041
1-[3-[[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyrimidin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084307
N-[4-[[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyrimidin-4-ylamino)purin-6-yl]amino]phenyl]acetamide
CID 117079969
1-[2-[6-(benzylamino)-2-thiophen-2-ylpurin-9-yl]ethyl]pyrrolidin-2-one
CID 117089731

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one (CID 117093175) is 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one is Nc1nc(Nc2ccccc2)nc2c1ncn2CCN1CCCC1=O.
What is the InChIKey of 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one?
The InChIKey is ITKDQKLAJDHGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c18-15-14-16(22-17(21-15)20-12-5-2-1-3-6-12)24(11-19-14)10-9-23-8-4-7-13(23)25/h1-3,5-6,11H,4,7-10H2,(H3,18,20,21,22).
What are the key properties of 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one?
1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one has a molecular weight of 337.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 117093175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).