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

C21H25N3OS — CID 93194256

IUPAC5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(C)c(-c2csc3nc(CN4CCCC[C@@H]4C)[nH]c(=O)c23)c1
InChIInChI=1S/C21H25N3OS/c1-13-7-8-14(2)16(10-13)17-12-26-21-19(17)20(25)22-18(23-21)11-24-9-5-4-6-15(24)3/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,22,23,25)/t15-/m0/s1
InChIKeyYIZLHSWCXNLJFW-HNNXBMFYSA-N
MW367.52 g/mol
LogP4.64
Rot. Bonds3

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

5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 93194256) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID93194256
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(C)c(-c2csc3nc(CN4CCCC[C@@H]4C)[nH]c(=O)c23)c1
InChIInChI=1S/C21H25N3OS/c1-13-7-8-14(2)16(10-13)17-12-26-21-19(17)20(25)22-18(23-21)11-24-9-5-4-6-15(24)3/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,22,23,25)/t15-/m0/s1
InChIKeyYIZLHSWCXNLJFW-HNNXBMFYSA-N
XLogP4.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2486921
5-(furan-2-yl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197519
5-(4-chlorophenyl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2697878
5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2368549
2-[[cyclohexyl-(2-hydroxy-3-methoxypropyl)amino]methyl]-5-(2,5-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46018546
2-(chloromethyl)-5-(2,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28830645
2-(1-chloroethyl)-5-(2,5-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084627
6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714818
5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868331
2-[[cyclohexyl-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-5-(2,5-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 93195348
2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110935929
2-(azocan-1-ylmethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784587

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 93194256) is 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(C)c(-c2csc3nc(CN4CCCC[C@@H]4C)[nH]c(=O)c23)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YIZLHSWCXNLJFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-13-7-8-14(2)16(10-13)17-12-26-21-19(17)20(25)22-18(23-21)11-24-9-5-4-6-15(24)3/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,22,23,25)/t15-/m0/s1.
What are the key properties of 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 367.52 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 93194256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).