1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

C16H22N4OS — CID 649969

IUPAC1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(C)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C16H22N4OS/c1-5-13(21)19-6-8-20(9-7-19)15-14-10(2)11(3)22-16(14)18-12(4)17-15/h5-9H2,1-4H3
InChIKeyWQBZHTGFSUEXFG-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.68
Rot. Bonds2

About 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 649969) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID649969
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(C)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C16H22N4OS/c1-5-13(21)19-6-8-20(9-7-19)15-14-10(2)11(3)22-16(14)18-12(4)17-15/h5-9H2,1-4H3
InChIKeyWQBZHTGFSUEXFG-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 649969) is 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nc(C)nc3sc(C)c(C)c23)CC1.
What is the InChIKey of 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is WQBZHTGFSUEXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-5-13(21)19-6-8-20(9-7-19)15-14-10(2)11(3)22-16(14)18-12(4)17-15/h5-9H2,1-4H3.
What are the key properties of 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 318.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 649969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).