3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione

C11H13N3O2S — CID 102549125

IUPAC3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1C1CCCNC1
InChIInChI=1S/C11H13N3O2S/c15-10-9-8(3-5-17-9)13-11(16)14(10)7-2-1-4-12-6-7/h3,5,7,12H,1-2,4,6H2,(H,13,16)
InChIKeyOEADSYJLZWJNDY-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.68
Rot. Bonds1

About 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 102549125) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID102549125
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1C1CCCNC1
InChIInChI=1S/C11H13N3O2S/c15-10-9-8(3-5-17-9)13-11(16)14(10)7-2-1-4-12-6-7/h3,5,7,12H,1-2,4,6H2,(H,13,16)
InChIKeyOEADSYJLZWJNDY-UHFFFAOYSA-N
XLogP0.68
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 102549125) is 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2ccsc2c(=O)n1C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OEADSYJLZWJNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-10-9-8(3-5-17-9)13-11(16)14(10)7-2-1-4-12-6-7/h3,5,7,12H,1-2,4,6H2,(H,13,16).
What are the key properties of 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 251.31 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 102549125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).