4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine

C15H19N3S — CID 133491295

IUPAC4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC3(CCC3)C2)c2c(C)csc2n1
InChIInChI=1S/C15H19N3S/c1-10-8-19-14-12(10)13(16-11(2)17-14)18-7-6-15(9-18)4-3-5-15/h8H,3-7,9H2,1-2H3
InChIKeyVQSKOJLYGFESCY-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.69
Rot. Bonds1

About 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine

4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine (PubChem CID 133491295) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine
PubChem CID133491295
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC3(CCC3)C2)c2c(C)csc2n1
InChIInChI=1S/C15H19N3S/c1-10-8-19-14-12(10)13(16-11(2)17-14)18-7-6-15(9-18)4-3-5-15/h8H,3-7,9H2,1-2H3
InChIKeyVQSKOJLYGFESCY-UHFFFAOYSA-N
XLogP3.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine (CID 133491295) is 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine is Cc1nc(N2CCC3(CCC3)C2)c2c(C)csc2n1.
What is the InChIKey of 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is VQSKOJLYGFESCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-8-19-14-12(10)13(16-11(2)17-14)18-7-6-15(9-18)4-3-5-15/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine?
4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 273.40 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133491295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).