4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine

C15H20N4S — CID 47184707

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN4CCCC4C3)ncnc2s1
InChIInChI=1S/C15H20N4S/c1-2-12-8-13-14(16-10-17-15(13)20-12)19-7-6-18-5-3-4-11(18)9-19/h8,10-11H,2-7,9H2,1H3
InChIKeyZYUPFFVHIXMUKZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.54
Rot. Bonds2

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 47184707) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID47184707
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN4CCCC4C3)ncnc2s1
InChIInChI=1S/C15H20N4S/c1-2-12-8-13-14(16-10-17-15(13)20-12)19-7-6-18-5-3-4-11(18)9-19/h8,10-11H,2-7,9H2,1H3
InChIKeyZYUPFFVHIXMUKZ-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]morpholine
CID 172899897
6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
CID 66197366
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 146104926
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 47184707) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN4CCCC4C3)ncnc2s1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is ZYUPFFVHIXMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-12-8-13-14(16-10-17-15(13)20-12)19-7-6-18-5-3-4-11(18)9-19/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 288.42 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 47184707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).