6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

C19H20N4O2S — CID 3236799

IUPAC6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc2s1
InChIInChI=1S/C19H20N4O2S/c1-14-11-16-18(26-14)20-13-23(19(16)25)12-17(24)22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyCJRBNBVZQVTXTD-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.12
Rot. Bonds3

About 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 3236799) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID3236799
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc2s1
InChIInChI=1S/C19H20N4O2S/c1-14-11-16-18(26-14)20-13-23(19(16)25)12-17(24)22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyCJRBNBVZQVTXTD-UHFFFAOYSA-N
XLogP2.12
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 1900053
CID 1902590
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CID 1902858
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CID 1903900
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CID 6460856
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CID 6491564
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CID 8110222
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CID 1325022
CID 1325022

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one (CID 3236799) is 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc2s1.
What is the InChIKey of 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CJRBNBVZQVTXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-11-16-18(26-14)20-13-23(19(16)25)12-17(24)22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one?
6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 368.46 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3236799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).