1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione

C9H8N2O2S — CID 63812370

IUPAC1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2cccs2)c(=O)[nH]1
InChIInChI=1S/C9H8N2O2S/c12-8-3-4-11(9(13)10-8)6-7-2-1-5-14-7/h1-5H,6H2,(H,10,12,13)
InChIKeyLLNMEOQGDORHHS-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.65
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione

1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63812370) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID63812370
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2cccs2)c(=O)[nH]1
InChIInChI=1S/C9H8N2O2S/c12-8-3-4-11(9(13)10-8)6-7-2-1-5-14-7/h1-5H,6H2,(H,10,12,13)
InChIKeyLLNMEOQGDORHHS-UHFFFAOYSA-N
XLogP0.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione (CID 63812370) is 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(Cc2cccs2)c(=O)[nH]1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is LLNMEOQGDORHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-8-3-4-11(9(13)10-8)6-7-2-1-5-14-7/h1-5H,6H2,(H,10,12,13).
What are the key properties of 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 208.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63812370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).