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

C21H24N4S — CID 164965316

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine
SMILESCCc1cc2c(N3CC4(CCC(Nc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/C21H24N4S/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
InChIKeyIUSVFBGLSWDFCM-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.72
Rot. Bonds4

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

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine (PubChem CID 164965316) has the molecular formula C21H24N4S and a molecular weight of 364.52 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 Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine
PubChem CID164965316
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine
SMILESCCc1cc2c(N3CC4(CCC(Nc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/C21H24N4S/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
InChIKeyIUSVFBGLSWDFCM-UHFFFAOYSA-N
XLogP4.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine (CID 164965316) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine is CCc1cc2c(N3CC4(CCC(Nc5ccccc5)C4)C3)ncnc2s1.
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine?
The InChIKey is IUSVFBGLSWDFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/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.
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine has a molecular weight of 364.52 g/mol, XLogP of 4.72, 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 is sourced from PubChem (CID 164965316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).