1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone

C18H19N5O2S — CID 46231726

IUPAC1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
SMILESNc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2ccsc2n1
InChIInChI=1S/C18H19N5O2S/c19-18-20-16(14-6-11-26-17(14)21-18)23-9-7-22(8-10-23)15(24)12-25-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H2,19,20,21)
InChIKeyARVAZDVVLIYGMZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.00
Rot. Bonds4

About 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 46231726) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID46231726
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
SMILESNc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2ccsc2n1
InChIInChI=1S/C18H19N5O2S/c19-18-20-16(14-6-11-26-17(14)21-18)23-9-7-22(8-10-23)15(24)12-25-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H2,19,20,21)
InChIKeyARVAZDVVLIYGMZ-UHFFFAOYSA-N
XLogP2.00
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-Dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 1999904
1-[4-(2-Aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46231725
1-[4-[2-Amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 50941667
5-Amino-2-(4-fluorophenyl)-7-(4-(2-phenoxyacetyl)-piperazin-1-yl)-thiazolo[5,4-d]pyrimidine
CID 50941963
1-[4-[5-Amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 50941964
1-[4-[5-Amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 50941966
(3S)-4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 118611725
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethanone
CID 2086366
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2100259
4-[4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 2537908
1-[4-(4-Thieno[2,3-d]pyrimidin-4-yloxyphenyl)piperazin-1-yl]ethanone
CID 2550156
2-Phenoxy-1-[4-(2,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-ethanone
CID 9549454

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone (CID 46231726) is 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone is Nc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2ccsc2n1.
What is the InChIKey of 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is ARVAZDVVLIYGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c19-18-20-16(14-6-11-26-17(14)21-18)23-9-7-22(8-10-23)15(24)12-25-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H2,19,20,21).
What are the key properties of 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 369.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 46231726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).