4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine

C18H24N4S — CID 133403125

IUPAC4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CC3CN4CCCCC4C3C2)c2ccsc2n1
InChIInChI=1S/C18H24N4S/c1-2-16-19-17(13-6-8-23-18(13)20-16)22-10-12-9-21-7-4-3-5-15(21)14(12)11-22/h6,8,12,14-15H,2-5,7,9-11H2,1H3
InChIKeyAWYNDPKGURSKRD-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.17
Rot. Bonds2

About 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine

4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine (PubChem CID 133403125) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
PubChem CID133403125
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC Name4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CC3CN4CCCCC4C3C2)c2ccsc2n1
InChIInChI=1S/C18H24N4S/c1-2-16-19-17(13-6-8-23-18(13)20-16)22-10-12-9-21-7-4-3-5-15(21)14(12)11-22/h6,8,12,14-15H,2-5,7,9-11H2,1H3
InChIKeyAWYNDPKGURSKRD-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
CID 133404111
2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133405300
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 133403957
4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 167855469
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479437
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325254

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 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) is 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine is CCc1nc(N2CC3CN4CCCCC4C3C2)c2ccsc2n1.
What is the InChIKey of 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine?
The InChIKey is AWYNDPKGURSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-2-16-19-17(13-6-8-23-18(13)20-16)22-10-12-9-21-7-4-3-5-15(21)14(12)11-22/h6,8,12,14-15H,2-5,7,9-11H2,1H3.
What are the key properties of 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine?
4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine has a molecular weight of 328.49 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133403125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).