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

C20H23N5OS — CID 60503068

IUPAC1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C20H23N5OS/c1-15(26)25-11-9-24(10-12-25)8-7-21-19-18-17(16-5-3-2-4-6-16)13-27-20(18)23-14-22-19/h2-6,13-14H,7-12H2,1H3,(H,21,22,23)
InChIKeyCBGAQPHITLRFOP-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.93
Rot. Bonds5

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

1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone (PubChem CID 60503068) has the molecular formula C20H23N5OS and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
PubChem CID60503068
Molecular FormulaC20H23N5OS
Molecular Weight381.50 g/mol
Exact Mass381.16
IUPAC Name1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C20H23N5OS/c1-15(26)25-11-9-24(10-12-25)8-7-21-19-18-17(16-5-3-2-4-6-16)13-27-20(18)23-14-22-19/h2-6,13-14H,7-12H2,1H3,(H,21,22,23)
InChIKeyCBGAQPHITLRFOP-UHFFFAOYSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone (CID 60503068) is 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCNc2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is CBGAQPHITLRFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15(26)25-11-9-24(10-12-25)8-7-21-19-18-17(16-5-3-2-4-6-16)13-27-20(18)23-14-22-19/h2-6,13-14H,7-12H2,1H3,(H,21,22,23).
What are the key properties of 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 381.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 60503068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).