5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C15H21N3OS — CID 2368549

IUPAC5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CN3CCCC[C@@H]3C)[nH]c(=O)c2c1C
InChIInChI=1S/C15H21N3OS/c1-9-6-4-5-7-18(9)8-12-16-14(19)13-10(2)11(3)20-15(13)17-12/h9H,4-8H2,1-3H3,(H,16,17,19)/t9-/m0/s1
InChIKeyQLLZHQGBBKQUMG-VIFPVBQESA-N
MW291.42 g/mol
LogP2.98
Rot. Bonds2

About 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2368549) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2368549
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CN3CCCC[C@@H]3C)[nH]c(=O)c2c1C
InChIInChI=1S/C15H21N3OS/c1-9-6-4-5-7-18(9)8-12-16-14(19)13-10(2)11(3)20-15(13)17-12/h9H,4-8H2,1-3H3,(H,16,17,19)/t9-/m0/s1
InChIKeyQLLZHQGBBKQUMG-VIFPVBQESA-N
XLogP2.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714818
5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 125136023
5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2486921
2-[(4-hydroxypiperidin-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60641650
5-(2,5-dimethylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 93194256
5,6-dimethyl-2-[(3-methylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 65447500
5-(4-chlorophenyl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2697878
2-(1,4-diazepan-1-ylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 43156208
5-(furan-2-yl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197519
[5,6-dimethyl-2-[(2-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244800
N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]cyclobutanecarboxamide
CID 1453285
5,6-dimethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 82726389

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 2368549) is 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(CN3CCCC[C@@H]3C)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QLLZHQGBBKQUMG-VIFPVBQESA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9-6-4-5-7-18(9)8-12-16-14(19)13-10(2)11(3)20-15(13)17-12/h9H,4-8H2,1-3H3,(H,16,17,19)/t9-/m0/s1.
What are the key properties of 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 291.42 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2368549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).