1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C17H24N4OS — CID 24716038

IUPAC1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C(C)C)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C17H24N4OS/c1-10(2)15-18-16(14-11(3)12(4)23-17(14)19-15)21-8-6-20(7-9-21)13(5)22/h10H,6-9H2,1-5H3
InChIKeyVMHUCPFEVMCAQQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.10
Rot. Bonds2

About 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 24716038) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID24716038
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C(C)C)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C17H24N4OS/c1-10(2)15-18-16(14-11(3)12(4)23-17(14)19-15)21-8-6-20(7-9-21)13(5)22/h10H,6-9H2,1-5H3
InChIKeyVMHUCPFEVMCAQQ-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 24716038) is 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C(C)C)nc3sc(C)c(C)c23)CC1.
What is the InChIKey of 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is VMHUCPFEVMCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10(2)15-18-16(14-11(3)12(4)23-17(14)19-15)21-8-6-20(7-9-21)13(5)22/h10H,6-9H2,1-5H3.
What are the key properties of 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 332.47 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24716038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).