4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine

C13H17N3S — CID 172753084

IUPAC4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESC[C@@H]1CCC[C@H](C)N1c1ncnc2ccsc12
InChIInChI=1S/C13H17N3S/c1-9-4-3-5-10(2)16(9)13-12-11(6-7-17-12)14-8-15-13/h6-10H,3-5H2,1-2H3/t9-,10+
InChIKeyKQKRKTWDNNZXCI-AOOOYVTPSA-N
MW247.37 g/mol
LogP3.46
Rot. Bonds1

About 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine

4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 172753084) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID172753084
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESC[C@@H]1CCC[C@H](C)N1c1ncnc2ccsc12
InChIInChI=1S/C13H17N3S/c1-9-4-3-5-10(2)16(9)13-12-11(6-7-17-12)14-8-15-13/h6-10H,3-5H2,1-2H3/t9-,10+
InChIKeyKQKRKTWDNNZXCI-AOOOYVTPSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine (CID 172753084) is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine is C[C@@H]1CCC[C@H](C)N1c1ncnc2ccsc12.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is KQKRKTWDNNZXCI-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-4-3-5-10(2)16(9)13-12-11(6-7-17-12)14-8-15-13/h6-10H,3-5H2,1-2H3/t9-,10+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine?
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 247.37 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 172753084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).