4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine

C21H24N4S — CID 160621827

IUPAC4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC4(CN(Cc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/C21H24N4S/c1-2-17-10-18-19(22-15-23-20(18)26-17)25-9-8-21(14-25)12-24(13-21)11-16-6-4-3-5-7-16/h3-7,10,15H,2,8-9,11-14H2,1H3
InChIKeyRGULCEMXBKICLG-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.97
Rot. Bonds4

About 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine

4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 160621827) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID160621827
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC4(CN(Cc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/C21H24N4S/c1-2-17-10-18-19(22-15-23-20(18)26-17)25-9-8-21(14-25)12-24(13-21)11-16-6-4-3-5-7-16/h3-7,10,15H,2,8-9,11-14H2,1H3
InChIKeyRGULCEMXBKICLG-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 160621827) is 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC4(CN(Cc5ccccc5)C4)C3)ncnc2s1.
What is the InChIKey of 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is RGULCEMXBKICLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/c1-2-17-10-18-19(22-15-23-20(18)26-17)25-9-8-21(14-25)12-24(13-21)11-16-6-4-3-5-7-16/h3-7,10,15H,2,8-9,11-14H2,1H3.
What are the key properties of 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine?
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 364.52 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 160621827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).