5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine

C13H17N3S — CID 677414

IUPAC5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCCCC3)c2c1C
InChIInChI=1S/C13H17N3S/c1-9-10(2)17-13-11(9)12(14-8-15-13)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3
InChIKeyBGLKAPFSEFMNPI-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.30
Rot. Bonds1

About 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine

5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 677414) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID677414
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCCCC3)c2c1C
InChIInChI=1S/C13H17N3S/c1-9-10(2)17-13-11(9)12(14-8-15-13)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3
InChIKeyBGLKAPFSEFMNPI-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 290232
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CID 72201086
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CID 258149
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CID 25190900
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CID 57519811
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CID 90453135
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CID 705250
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CID 3157193
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CID 865968
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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine (CID 677414) is 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCCCC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is BGLKAPFSEFMNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-10(2)17-13-11(9)12(14-8-15-13)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 247.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 677414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).