4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine

C16H22N4OS — CID 133403396

IUPAC4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
SMILESCCc1nc(N2CCC(N3CCOCC3)C2)c2ccsc2n1
InChIInChI=1S/C16H22N4OS/c1-2-14-17-15(13-4-10-22-16(13)18-14)20-5-3-12(11-20)19-6-8-21-9-7-19/h4,10,12H,2-3,5-9,11H2,1H3
InChIKeyPZYROESUMZWGLY-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.16
Rot. Bonds3

About 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine

4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine (PubChem CID 133403396) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
PubChem CID133403396
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
SMILESCCc1nc(N2CCC(N3CCOCC3)C2)c2ccsc2n1
InChIInChI=1S/C16H22N4OS/c1-2-14-17-15(13-4-10-22-16(13)18-14)20-5-3-12(11-20)19-6-8-21-9-7-19/h4,10,12H,2-3,5-9,11H2,1H3
InChIKeyPZYROESUMZWGLY-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 103321627
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403125
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine
CID 133403948
5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 133403957
2-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thieno[2,3-d]pyrimidine
CID 103322041
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103322108
2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133405300
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479437
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine (CID 133403396) is 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine is CCc1nc(N2CCC(N3CCOCC3)C2)c2ccsc2n1.
What is the InChIKey of 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is PZYROESUMZWGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-2-14-17-15(13-4-10-22-16(13)18-14)20-5-3-12(11-20)19-6-8-21-9-7-19/h4,10,12H,2-3,5-9,11H2,1H3.
What are the key properties of 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 318.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 133403396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).