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

C16H21N5OS — CID 119376355

IUPAC(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
SMILESNC1CCN(C(=O)C2CCCN2c2ncnc3sccc23)CC1
InChIInChI=1S/C16H21N5OS/c17-11-3-7-20(8-4-11)16(22)13-2-1-6-21(13)14-12-5-9-23-15(12)19-10-18-14/h5,9-11,13H,1-4,6-8,17H2
InChIKeyKJWFYSQXBBSKJD-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.61
Rot. Bonds2

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

(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 119376355) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID119376355
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
SMILESNC1CCN(C(=O)C2CCCN2c2ncnc3sccc23)CC1
InChIInChI=1S/C16H21N5OS/c17-11-3-7-20(8-4-11)16(22)13-2-1-6-21(13)14-12-5-9-23-15(12)19-10-18-14/h5,9-11,13H,1-4,6-8,17H2
InChIKeyKJWFYSQXBBSKJD-UHFFFAOYSA-N
XLogP1.61
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119412925
[4-(1-aminoethyl)piperidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119520374
piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119403348
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 111694957
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
N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119176994
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 119220790
N-(3-hydroxybutyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 111429149

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone (CID 119376355) is (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone is NC1CCN(C(=O)C2CCCN2c2ncnc3sccc23)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is KJWFYSQXBBSKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-11-3-7-20(8-4-11)16(22)13-2-1-6-21(13)14-12-5-9-23-15(12)19-10-18-14/h5,9-11,13H,1-4,6-8,17H2.
What are the key properties of (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 331.45 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 119376355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).