6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

C9H8N2O3S — CID 51890907

IUPAC6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(Cc2cccs2)c(=O)[nH]1
InChIInChI=1S/C9H8N2O3S/c12-7-6(4-5-2-1-3-15-5)8(13)11-9(14)10-7/h1-3H,4H2,(H3,10,11,12,13,14)
InChIKeyOPIKWYXFBUVFHJ-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.42
Rot. Bonds2

About 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 51890907) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID51890907
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(Cc2cccs2)c(=O)[nH]1
InChIInChI=1S/C9H8N2O3S/c12-7-6(4-5-2-1-3-15-5)8(13)11-9(14)10-7/h1-3H,4H2,(H3,10,11,12,13,14)
InChIKeyOPIKWYXFBUVFHJ-UHFFFAOYSA-N
XLogP0.42
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 51890907) is 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(Cc2cccs2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OPIKWYXFBUVFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-7-6(4-5-2-1-3-15-5)8(13)11-9(14)10-7/h1-3H,4H2,(H3,10,11,12,13,14).
What are the key properties of 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 224.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 51890907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).