5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C20H23N3OS — CID 2486921

IUPAC5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(CN4CCCC[C@@H]4C)[nH]c(=O)c23)cc1
InChIInChI=1S/C20H23N3OS/c1-13-6-8-15(9-7-13)16-12-25-20-18(16)19(24)21-17(22-20)11-23-10-4-3-5-14(23)2/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,22,24)/t14-/m0/s1
InChIKeyUNQWENFSUTXPNG-AWEZNQCLSA-N
MW353.49 g/mol
LogP4.33
Rot. Bonds3

About 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2486921) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2486921
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(CN4CCCC[C@@H]4C)[nH]c(=O)c23)cc1
InChIInChI=1S/C20H23N3OS/c1-13-6-8-15(9-7-13)16-12-25-20-18(16)19(24)21-17(22-20)11-23-10-4-3-5-14(23)2/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,22,24)/t14-/m0/s1
InChIKeyUNQWENFSUTXPNG-AWEZNQCLSA-N
XLogP4.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2697878
5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 93194256
5-(furan-2-yl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197519
5-(4-methylphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 46017861
5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2368549
2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110935929
5-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46017897
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 40609259
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 9023153
6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714818
2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 11930085
5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 5181890

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 2486921) is 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(CN4CCCC[C@@H]4C)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UNQWENFSUTXPNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-6-8-15(9-7-13)16-12-25-20-18(16)19(24)21-17(22-20)11-23-10-4-3-5-14(23)2/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,22,24)/t14-/m0/s1.
What are the key properties of 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 353.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2486921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).