4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine

C21H30N4OS2 — CID 126465783

IUPAC4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine
SMILESCc1cnc(SCCN2CCOCC2)nc1C1CCCN(Cc2ccsc2)C1
InChIInChI=1S/C21H30N4OS2/c1-17-13-22-21(28-12-8-24-6-9-26-10-7-24)23-20(17)19-3-2-5-25(15-19)14-18-4-11-27-16-18/h4,11,13,16,19H,2-3,5-10,12,14-15H2,1H3
InChIKeyZIZNXDRQDVVBOZ-UHFFFAOYSA-N
MW418.63 g/mol
LogP3.65
Rot. Bonds7

About 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine

4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine (PubChem CID 126465783) has the molecular formula C21H30N4OS2 and a molecular weight of 418.63 g/mol. Its IUPAC name is 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine
PubChem CID126465783
Molecular FormulaC21H30N4OS2
Molecular Weight418.63 g/mol
Exact Mass418.19
IUPAC Name4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine
SMILESCc1cnc(SCCN2CCOCC2)nc1C1CCCN(Cc2ccsc2)C1
InChIInChI=1S/C21H30N4OS2/c1-17-13-22-21(28-12-8-24-6-9-26-10-7-24)23-20(17)19-3-2-5-25(15-19)14-18-4-11-27-16-18/h4,11,13,16,19H,2-3,5-10,12,14-15H2,1H3
InChIKeyZIZNXDRQDVVBOZ-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine with MolForge

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Related Compounds

5-methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 45167404
3-(4-fluorophenyl)-1-[3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]prop-2-en-1-one
CID 74583256
2-(2-chlorophenoxy)-1-[3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 45226159
1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234045
4-[2-[[4-benzyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 26275280
4-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 45183047
4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine
CID 26352610
(2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 26356129
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 86791653
4-[(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 26332588
4-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 45221993

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine?
The IUPAC name of 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine (CID 126465783) is 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine is Cc1cnc(SCCN2CCOCC2)nc1C1CCCN(Cc2ccsc2)C1.
What is the InChIKey of 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine?
The InChIKey is ZIZNXDRQDVVBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS2/c1-17-13-22-21(28-12-8-24-6-9-26-10-7-24)23-20(17)19-3-2-5-25(15-19)14-18-4-11-27-16-18/h4,11,13,16,19H,2-3,5-10,12,14-15H2,1H3.
What are the key properties of 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine?
4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine has a molecular weight of 418.63 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine is sourced from PubChem (CID 126465783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).