1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone

C16H23N5OS — CID 31520092

IUPAC1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN([C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)CC1
InChIInChI=1S/C16H23N5OS/c1-9-11(3)23-16-13(9)14(17)18-15(19-16)10(2)20-5-7-21(8-6-20)12(4)22/h10H,5-8H2,1-4H3,(H2,17,18,19)/t10-/m0/s1
InChIKeyILPYELLBVQDBQY-JTQLQIEISA-N
MW333.46 g/mol
LogP2.12
Rot. Bonds2

About 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone

1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 31520092) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID31520092
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN([C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)CC1
InChIInChI=1S/C16H23N5OS/c1-9-11(3)23-16-13(9)14(17)18-15(19-16)10(2)20-5-7-21(8-6-20)12(4)22/h10H,5-8H2,1-4H3,(H2,17,18,19)/t10-/m0/s1
InChIKeyILPYELLBVQDBQY-JTQLQIEISA-N
XLogP2.12
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone (CID 31520092) is 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN([C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)CC1.
What is the InChIKey of 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is ILPYELLBVQDBQY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23N5OS/c1-9-11(3)23-16-13(9)14(17)18-15(19-16)10(2)20-5-7-21(8-6-20)12(4)22/h10H,5-8H2,1-4H3,(H2,17,18,19)/t10-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone?
1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 333.46 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 31520092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).