2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone

C15H21N5O2S — CID 119884684

IUPAC2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
SMILESCOCCNCC(=O)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C15H21N5O2S/c1-22-8-3-16-10-13(21)19-4-6-20(7-5-19)15-14-12(2-9-23-14)17-11-18-15/h2,9,11,16H,3-8,10H2,1H3
InChIKeyRGTHJVGDMMMIKF-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.58
Rot. Bonds6

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

2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone (PubChem CID 119884684) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
PubChem CID119884684
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
SMILESCOCCNCC(=O)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C15H21N5O2S/c1-22-8-3-16-10-13(21)19-4-6-20(7-5-19)15-14-12(2-9-23-14)17-11-18-15/h2,9,11,16H,3-8,10H2,1H3
InChIKeyRGTHJVGDMMMIKF-UHFFFAOYSA-N
XLogP0.58
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119842629
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
4-amino-3-methoxy-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120596839
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-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
5-[2-oxo-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]-1H-pyridin-2-one
CID 166244280
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
2-(2-methoxyethylamino)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119851720
2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
CID 119879956

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone (CID 119884684) is 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone is COCCNCC(=O)N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is RGTHJVGDMMMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-22-8-3-16-10-13(21)19-4-6-20(7-5-19)15-14-12(2-9-23-14)17-11-18-15/h2,9,11,16H,3-8,10H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone?
2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 335.43 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119884684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).