1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C17H22N4OS — CID 95315326

IUPAC1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2ccsc12
InChIInChI=1S/C17H22N4OS/c1-2-15(22)20-8-3-5-13(20)14-6-4-9-21(14)17-16-12(7-10-23-16)18-11-19-17/h7,10-11,13-14H,2-6,8-9H2,1H3/t13-,14-/m1/s1
InChIKeyDSKUPCZKRXAWEB-ZIAGYGMSSA-N
MW330.46 g/mol
LogP3.06
Rot. Bonds3

About 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95315326) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95315326
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2ccsc12
InChIInChI=1S/C17H22N4OS/c1-2-15(22)20-8-3-5-13(20)14-6-4-9-21(14)17-16-12(7-10-23-16)18-11-19-17/h7,10-11,13-14H,2-6,8-9H2,1H3/t13-,14-/m1/s1
InChIKeyDSKUPCZKRXAWEB-ZIAGYGMSSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
methyl 1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxylate
CID 62006440
N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 47282456
1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 71932754
N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
CID 62585668
1-[(2S)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)azepan-1-yl]ethanone
CID 95617572
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
2-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 36835902
1-[(2R)-2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758343
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758361

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95315326) is 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2ccsc12.
What is the InChIKey of 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is DSKUPCZKRXAWEB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-15(22)20-8-3-5-13(20)14-6-4-9-21(14)17-16-12(7-10-23-16)18-11-19-17/h7,10-11,13-14H,2-6,8-9H2,1H3/t13-,14-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 330.46 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95315326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).