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

C13H16N4OS — CID 110873227

IUPAC1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C13H16N4OS/c1-2-11(18)16-4-6-17(7-5-16)13-12-10(3-8-19-12)14-9-15-13/h3,8-9H,2,4-7H2,1H3
InChIKeyNGZAYGCJDUIAFU-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.75
Rot. Bonds2

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

1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one (PubChem CID 110873227) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
PubChem CID110873227
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C13H16N4OS/c1-2-11(18)16-4-6-17(7-5-16)13-12-10(3-8-19-12)14-9-15-13/h3,8-9H,2,4-7H2,1H3
InChIKeyNGZAYGCJDUIAFU-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
7-amino-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119884627
2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119884684
4-amino-3-methoxy-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120596839
2-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
5-[2-oxo-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]-1H-pyridin-2-one
CID 166244280
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
1-[(6R)-6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl]ethanone
CID 97129327
1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315326
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 36731447

Frequently Asked Questions

What is the IUPAC name of 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one (CID 110873227) is 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one?
The InChIKey is NGZAYGCJDUIAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-11(18)16-4-6-17(7-5-16)13-12-10(3-8-19-12)14-9-15-13/h3,8-9H,2,4-7H2,1H3.
What are the key properties of 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one?
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one has a molecular weight of 276.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110873227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).