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

C21H24N4OS — CID 2796229

IUPAC2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C21H24N4OS/c1-21(2,3)20(26)25-11-9-24(10-12-25)18-17-16(15-7-5-4-6-8-15)13-27-19(17)23-14-22-18/h4-8,13-14H,9-12H2,1-3H3
InChIKeyIOEXTWPNXSBBPA-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.05
Rot. Bonds2

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

2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 2796229) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID2796229
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C21H24N4OS/c1-21(2,3)20(26)25-11-9-24(10-12-25)18-17-16(15-7-5-4-6-8-15)13-27-19(17)23-14-22-18/h4-8,13-14H,9-12H2,1-3H3
InChIKeyIOEXTWPNXSBBPA-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 2796229) is 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is IOEXTWPNXSBBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-21(2,3)20(26)25-11-9-24(10-12-25)18-17-16(15-7-5-4-6-8-15)13-27-19(17)23-14-22-18/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 380.52 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 2796229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).