6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine

C23H34N4OS — CID 161136319

IUPAC6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
SMILESCCCC(C1CCOCC1)N1CC2(CCN(c3ncnc4sc(CC)cc34)C2)C1
InChIInChI=1S/C23H34N4OS/c1-3-5-20(17-6-10-28-11-7-17)27-14-23(15-27)8-9-26(13-23)21-19-12-18(4-2)29-22(19)25-16-24-21/h12,16-17,20H,3-11,13-15H2,1-2H3
InChIKeyUMVPMFMVRROESJ-UHFFFAOYSA-N
MW414.62 g/mol
LogP4.36
Rot. Bonds6

About 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 161136319) has the molecular formula C23H34N4OS and a molecular weight of 414.62 g/mol. Its IUPAC name is 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
PubChem CID161136319
Molecular FormulaC23H34N4OS
Molecular Weight414.62 g/mol
Exact Mass414.25
IUPAC Name6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
SMILESCCCC(C1CCOCC1)N1CC2(CCN(c3ncnc4sc(CC)cc34)C2)C1
InChIInChI=1S/C23H34N4OS/c1-3-5-20(17-6-10-28-11-7-17)27-14-23(15-27)8-9-26(13-23)21-19-12-18(4-2)29-22(19)25-16-24-21/h12,16-17,20H,3-11,13-15H2,1-2H3
InChIKeyUMVPMFMVRROESJ-UHFFFAOYSA-N
XLogP4.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 165066523
6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 158450814
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827
[3-[(1S)-1-[7-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropyl]-3-fluoroazetidin-1-yl]-methylborinic acid
CID 148914591
4-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]morpholine
CID 172899897
6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 160653277
4-[(1S)-1-[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]ethyl]thiane 1,1-dioxide
CID 134352907
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-[6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-2-yl]benzenesulfonamide
CID 164965241
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine (CID 161136319) is 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine is CCCC(C1CCOCC1)N1CC2(CCN(c3ncnc4sc(CC)cc34)C2)C1.
What is the InChIKey of 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The InChIKey is UMVPMFMVRROESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4OS/c1-3-5-20(17-6-10-28-11-7-17)27-14-23(15-27)8-9-26(13-23)21-19-12-18(4-2)29-22(19)25-16-24-21/h12,16-17,20H,3-11,13-15H2,1-2H3.
What are the key properties of 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine has a molecular weight of 414.62 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 161136319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).