4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine

C19H27N5S — CID 165066523

IUPAC4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC4(C3)CN([C@H](C)C3CNC3)C4)ncnc2s1
InChIInChI=1S/C19H27N5S/c1-3-15-6-16-17(21-12-22-18(16)25-15)23-5-4-19(9-23)10-24(11-19)13(2)14-7-20-8-14/h6,12-14,20H,3-5,7-11H2,1-2H3/t13-/m1/s1
InChIKeySBBKXSYAIWKQJW-CYBMUJFWSA-N
MW357.53 g/mol
LogP2.37
Rot. Bonds4

About 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine

4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 165066523) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine
PubChem CID165066523
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC4(C3)CN([C@H](C)C3CNC3)C4)ncnc2s1
InChIInChI=1S/C19H27N5S/c1-3-15-6-16-17(21-12-22-18(16)25-15)23-5-4-19(9-23)10-24(11-19)13(2)14-7-20-8-14/h6,12-14,20H,3-5,7-11H2,1-2H3/t13-/m1/s1
InChIKeySBBKXSYAIWKQJW-CYBMUJFWSA-N
XLogP2.37
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 161136319
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-[(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
[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-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827
6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 160653277
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
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
4-[2-(1-pyridin-3-ylethyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134353358
4-[2-[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]propyl]phenol
CID 134353051
N-(2-methylpropyl)-6-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-amine
CID 147886170

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine (CID 165066523) is 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC4(C3)CN([C@H](C)C3CNC3)C4)ncnc2s1.
What is the InChIKey of 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is SBBKXSYAIWKQJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N5S/c1-3-15-6-16-17(21-12-22-18(16)25-15)23-5-4-19(9-23)10-24(11-19)13(2)14-7-20-8-14/h6,12-14,20H,3-5,7-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine?
4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 357.53 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 165066523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).