ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate

C18H25N3O2S — CID 91965516

IUPACethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc(CC)nc3sc(C)c(C)c23)C1
InChIInChI=1S/C18H25N3O2S/c1-5-14-19-16(15-11(3)12(4)24-17(15)20-14)21-9-7-8-13(10-21)18(22)23-6-2/h13H,5-10H2,1-4H3
InChIKeyCMEHWELRYKJTFA-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.65
Rot. Bonds4

About ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate

ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 91965516) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID91965516
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Nameethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc(CC)nc3sc(C)c(C)c23)C1
InChIInChI=1S/C18H25N3O2S/c1-5-14-19-16(15-11(3)12(4)24-17(15)20-14)21-9-7-8-13(10-21)18(22)23-6-2/h13H,5-10H2,1-4H3
InChIKeyCMEHWELRYKJTFA-UHFFFAOYSA-N
XLogP3.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 5048246
[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24607766
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 65168577
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
ethyl (3S)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133492847
ethyl (3S)-1-[(7R)-7-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 93122809
ethyl 1-[1-(2-chlorophenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 42671372
2-chloro-1-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 42799781
ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 45236696
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198717
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198504
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate (CID 91965516) is ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2nc(CC)nc3sc(C)c(C)c23)C1.
What is the InChIKey of ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is CMEHWELRYKJTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-5-14-19-16(15-11(3)12(4)24-17(15)20-14)21-9-7-8-13(10-21)18(22)23-6-2/h13H,5-10H2,1-4H3.
What are the key properties of ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate?
ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 347.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 91965516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).