3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one

C16H21N3O2S — CID 92715236

IUPAC3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC(=O)N3C[C@H](C)C[C@H](C)C3)cnc2s1
InChIInChI=1S/C16H21N3O2S/c1-10-4-11(2)7-18(6-10)14(20)8-19-9-17-15-13(16(19)21)5-12(3)22-15/h5,9-11H,4,6-8H2,1-3H3/t10-,11+
InChIKeyZSIDUTFWTCVPHU-PHIMTYICSA-N
MW319.43 g/mol
LogP2.27
Rot. Bonds2

About 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one

3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 92715236) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID92715236
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC(=O)N3C[C@H](C)C[C@H](C)C3)cnc2s1
InChIInChI=1S/C16H21N3O2S/c1-10-4-11(2)7-18(6-10)14(20)8-19-9-17-15-13(16(19)21)5-12(3)22-15/h5,9-11H,4,6-8H2,1-3H3/t10-,11+
InChIKeyZSIDUTFWTCVPHU-PHIMTYICSA-N
XLogP2.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715237
3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 3649165
[(1S,3S)-3-methylcyclohexyl] 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7747432
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3604620
6-chloro-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587468
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 127682976
(7R)-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 25387649
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(2-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3526239
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 126479918
3-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164887
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23963812

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one (CID 92715236) is 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(CC(=O)N3C[C@H](C)C[C@H](C)C3)cnc2s1.
What is the InChIKey of 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZSIDUTFWTCVPHU-PHIMTYICSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-4-11(2)7-18(6-10)14(20)8-19-9-17-15-13(16(19)21)5-12(3)22-15/h5,9-11H,4,6-8H2,1-3H3/t10-,11+.
What are the key properties of 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one?
3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 319.43 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 92715236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).