1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one

C19H24N6OS — CID 117089922

IUPAC1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one
SMILESCC(C)n1c(-c2cccs2)nc2c(NCCCN3CCCC3=O)ncnc21
InChIInChI=1S/C19H24N6OS/c1-13(2)25-18(14-6-4-11-27-14)23-16-17(21-12-22-19(16)25)20-8-5-10-24-9-3-7-15(24)26/h4,6,11-13H,3,5,7-10H2,1-2H3,(H,20,21,22)
InChIKeyIYMVPNUVTVTTIU-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.56
Rot. Bonds7

About 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 117089922) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one
PubChem CID117089922
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one
SMILESCC(C)n1c(-c2cccs2)nc2c(NCCCN3CCCC3=O)ncnc21
InChIInChI=1S/C19H24N6OS/c1-13(2)25-18(14-6-4-11-27-14)23-16-17(21-12-22-19(16)25)20-8-5-10-24-9-3-7-15(24)26/h4,6,11-13H,3,5,7-10H2,1-2H3,(H,20,21,22)
InChIKeyIYMVPNUVTVTTIU-UHFFFAOYSA-N
XLogP3.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine
CID 117090219
1-[3-[[8-(6-methoxy-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117092163
1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 117084522
1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 154075459
1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 4684625
1-[3-[[9-propan-2-yl-2-(pyridin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117090692
1-[3-[[7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 4580981
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 117093615
1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 9104532
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
1-[3-[(8-anilino-7H-purin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117091724

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one (CID 117089922) is 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one is CC(C)n1c(-c2cccs2)nc2c(NCCCN3CCCC3=O)ncnc21.
What is the InChIKey of 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is IYMVPNUVTVTTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-13(2)25-18(14-6-4-11-27-14)23-16-17(21-12-22-19(16)25)20-8-5-10-24-9-3-7-15(24)26/h4,6,11-13H,3,5,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 384.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117089922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).