3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one

C22H25N3O2S — CID 7889077

IUPAC3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCC[C@@H]1CCCCN1C(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O
InChIInChI=1S/C22H25N3O2S/c1-3-17-11-7-8-12-25(17)18(26)13-24-14-23-21-19(22(24)27)15(2)20(28-21)16-9-5-4-6-10-16/h4-6,9-10,14,17H,3,7-8,11-13H2,1-2H3/t17-/m1/s1
InChIKeyGYQUTEBEUWKQQM-QGZVFWFLSA-N
MW395.53 g/mol
LogP4.22
Rot. Bonds4

About 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one

3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 7889077) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID7889077
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCC[C@@H]1CCCCN1C(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O
InChIInChI=1S/C22H25N3O2S/c1-3-17-11-7-8-12-25(17)18(26)13-24-14-23-21-19(22(24)27)15(2)20(28-21)16-9-5-4-6-10-16/h4-6,9-10,14,17H,3,7-8,11-13H2,1-2H3/t17-/m1/s1
InChIKeyGYQUTEBEUWKQQM-QGZVFWFLSA-N
XLogP4.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889105
1-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42952360
6-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7456771
5,6-dimethyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 6938222
5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 17398834
5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 32925031
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41215663
N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
CID 55380138
N,N-bis(2-methoxyethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7518844
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 41167741
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 16575647
N-cyclopropyl-2-[[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 16611778

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 7889077) is 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one is CC[C@@H]1CCCCN1C(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O.
What is the InChIKey of 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is GYQUTEBEUWKQQM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-3-17-11-7-8-12-25(17)18(26)13-24-14-23-21-19(22(24)27)15(2)20(28-21)16-9-5-4-6-10-16/h4-6,9-10,14,17H,3,7-8,11-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 395.53 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7889077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).