6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine

C22H26N4S — CID 160653277

IUPAC6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC4(CN(Cc5cccc(C)c5)C4)C3)ncnc2s1
InChIInChI=1S/C22H26N4S/c1-3-18-10-19-20(23-15-24-21(19)27-18)26-8-7-22(14-26)12-25(13-22)11-17-6-4-5-16(2)9-17/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3
InChIKeyRKRWUGLBDWLDDT-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.27
Rot. Bonds4

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

6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 160653277) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
PubChem CID160653277
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC Name6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC4(CN(Cc5cccc(C)c5)C4)C3)ncnc2s1
InChIInChI=1S/C22H26N4S/c1-3-18-10-19-20(23-15-24-21(19)27-18)26-8-7-22(14-26)12-25(13-22)11-17-6-4-5-16(2)9-17/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3
InChIKeyRKRWUGLBDWLDDT-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827
6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine
CID 159295114
4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 165066523
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
N-[6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-2-yl]benzenesulfonamide
CID 164965241
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine
CID 164965316
4-[(5R)-7-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 139315065
N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]aniline
CID 129301536
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 46362719
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen
CID 164965315
4-[2-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134352992
6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 161136319

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine (CID 160653277) is 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC4(CN(Cc5cccc(C)c5)C4)C3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The InChIKey is RKRWUGLBDWLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-3-18-10-19-20(23-15-24-21(19)27-18)26-8-7-22(14-26)12-25(13-22)11-17-6-4-5-16(2)9-17/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3.
What are the key properties of 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine has a molecular weight of 378.55 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 160653277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).