5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

C14H19N3O2S — CID 82342103

IUPAC5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2[nH]c(=O)n(CC3CCNCC3)c(=O)c2c1C
InChIInChI=1S/C14H19N3O2S/c1-8-9(2)20-12-11(8)13(18)17(14(19)16-12)7-10-3-5-15-6-4-10/h10,15H,3-7H2,1-2H3,(H,16,19)
InChIKeyUEHPFMYOIFAXSI-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.37
Rot. Bonds2

About 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 82342103) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID82342103
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2[nH]c(=O)n(CC3CCNCC3)c(=O)c2c1C
InChIInChI=1S/C14H19N3O2S/c1-8-9(2)20-12-11(8)13(18)17(14(19)16-12)7-10-3-5-15-6-4-10/h10,15H,3-7H2,1-2H3,(H,16,19)
InChIKeyUEHPFMYOIFAXSI-UHFFFAOYSA-N
XLogP1.37
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 82342103) is 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1sc2[nH]c(=O)n(CC3CCNCC3)c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UEHPFMYOIFAXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-9(2)20-12-11(8)13(18)17(14(19)16-12)7-10-3-5-15-6-4-10/h10,15H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 293.39 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 82342103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).