4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine

C15H19N3OS — CID 72885786

IUPAC4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine
SMILESCOC1[C@@H]2CC[C@H]1CN(c1nc(C)nc3ccsc13)C2
InChIInChI=1S/C15H19N3OS/c1-9-16-12-5-6-20-14(12)15(17-9)18-7-10-3-4-11(8-18)13(10)19-2/h5-6,10-11,13H,3-4,7-8H2,1-2H3/t10-,11+,13?
InChIKeyCSCCAQLYOMPBMN-QYJAPNMZSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds2

About 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine

4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine (PubChem CID 72885786) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine
PubChem CID72885786
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine
SMILESCOC1[C@@H]2CC[C@H]1CN(c1nc(C)nc3ccsc13)C2
InChIInChI=1S/C15H19N3OS/c1-9-16-12-5-6-20-14(12)15(17-9)18-7-10-3-4-11(8-18)13(10)19-2/h5-6,10-11,13H,3-4,7-8H2,1-2H3/t10-,11+,13?
InChIKeyCSCCAQLYOMPBMN-QYJAPNMZSA-N
XLogP2.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine (CID 72885786) is 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine is COC1[C@@H]2CC[C@H]1CN(c1nc(C)nc3ccsc13)C2.
What is the InChIKey of 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine?
The InChIKey is CSCCAQLYOMPBMN-QYJAPNMZSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-16-12-5-6-20-14(12)15(17-9)18-7-10-3-4-11(8-18)13(10)19-2/h5-6,10-11,13H,3-4,7-8H2,1-2H3/t10-,11+,13?.
What are the key properties of 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine?
4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine has a molecular weight of 289.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 72885786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).