piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone

C15H19N5OS — CID 119403348

IUPACpiperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1c1ncnc2sccc12)N1CCNCC1
InChIInChI=1S/C15H19N5OS/c21-15(19-7-4-16-5-8-19)12-2-1-6-20(12)13-11-3-9-22-14(11)18-10-17-13/h3,9-10,12,16H,1-2,4-8H2
InChIKeyHZGLKAPGXFBDAV-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.09
Rot. Bonds2

About piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone

piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 119403348) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID119403348
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Namepiperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1c1ncnc2sccc12)N1CCNCC1
InChIInChI=1S/C15H19N5OS/c21-15(19-7-4-16-5-8-19)12-2-1-6-20(12)13-11-3-9-22-14(11)18-10-17-13/h3,9-10,12,16H,1-2,4-8H2
InChIKeyHZGLKAPGXFBDAV-UHFFFAOYSA-N
XLogP1.09
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119376355
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 111694957
[4-(1-aminoethyl)piperidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119520374
[(3R)-3-aminopyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119412925
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481
(2R)-N,N-diethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95140151
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119176994
N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002
(2S)-N-(4-cyanophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95305384
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 119220790
5-[[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110710

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone (CID 119403348) is piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone is O=C(C1CCCN1c1ncnc2sccc12)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is HZGLKAPGXFBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-15(19-7-4-16-5-8-19)12-2-1-6-20(12)13-11-3-9-22-14(11)18-10-17-13/h3,9-10,12,16H,1-2,4-8H2.
What are the key properties of piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 317.42 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 119403348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).