2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen

C21H26N4S — CID 164965315

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen
SMILESCCc1cc2c(N3CC4(CCC(Nc5ccccc5)C4)C3)ncnc2s1.[H][H]
InChIInChI=1S/C21H24N4S.H2/c1-2-17-10-18-19(22-14-23-20(18)26-17)25-12-21(13-25)9-8-16(11-21)24-15-6-4-3-5-7-15;/h3-7,10,14,16,24H,2,8-9,11-13H2,1H3;1H
InChIKeyCKDABVJNHLMKFS-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.97
Rot. Bonds4

About 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen (PubChem CID 164965315) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen.

Molecular Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen
PubChem CID164965315
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen
SMILESCCc1cc2c(N3CC4(CCC(Nc5ccccc5)C4)C3)ncnc2s1.[H][H]
InChIInChI=1S/C21H24N4S.H2/c1-2-17-10-18-19(22-14-23-20(18)26-17)25-12-21(13-25)9-8-16(11-21)24-15-6-4-3-5-7-15;/h3-7,10,14,16,24H,2,8-9,11-13H2,1H3;1H
InChIKeyCKDABVJNHLMKFS-UHFFFAOYSA-N
XLogP4.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine
CID 164965316
N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine
CID 162573807
(8R)-N-phenyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-amine
CID 167343638
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827
N-[6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-2-yl]benzenesulfonamide
CID 164965241
[6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-[(6S)-5-methyl-5-azaspiro[2.4]heptan-6-yl]methanone;sulfane
CID 158562608
6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 160653277
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
molecular hydrogen;N-[4-(1H-1,2,4-triazol-5-yl)phenyl]-6-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-amine
CID 164998842
6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine
CID 159295114
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen (CID 164965315) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen is CCc1cc2c(N3CC4(CCC(Nc5ccccc5)C4)C3)ncnc2s1.[H][H].
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen?
The InChIKey is CKDABVJNHLMKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S.H2/c1-2-17-10-18-19(22-14-23-20(18)26-17)25-12-21(13-25)9-8-16(11-21)24-15-6-4-3-5-7-15;/h3-7,10,14,16,24H,2,8-9,11-13H2,1H3;1H.
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen has a molecular weight of 366.53 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen is sourced from PubChem (CID 164965315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).