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

C15H21N3O2S — CID 95945251

IUPAC5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCc1c(C)sc2[nH]c(=O)n(CC3CCNCC3)c(=O)c12
InChIInChI=1S/C15H21N3O2S/c1-3-11-9(2)21-13-12(11)14(19)18(15(20)17-13)8-10-4-6-16-7-5-10/h10,16H,3-8H2,1-2H3,(H,17,20)
InChIKeyOGUZZICMEJZFBB-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.62
Rot. Bonds3

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

5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 95945251) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID95945251
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCc1c(C)sc2[nH]c(=O)n(CC3CCNCC3)c(=O)c12
InChIInChI=1S/C15H21N3O2S/c1-3-11-9(2)21-13-12(11)14(19)18(15(20)17-13)8-10-4-6-16-7-5-10/h10,16H,3-8H2,1-2H3,(H,17,20)
InChIKeyOGUZZICMEJZFBB-UHFFFAOYSA-N
XLogP1.62
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 95945251) is 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is CCc1c(C)sc2[nH]c(=O)n(CC3CCNCC3)c(=O)c12.
What is the InChIKey of 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OGUZZICMEJZFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-11-9(2)21-13-12(11)14(19)18(15(20)17-13)8-10-4-6-16-7-5-10/h10,16H,3-8H2,1-2H3,(H,17,20).
What are the key properties of 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 307.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 95945251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).