5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C12H14N2O2S — CID 55215667

IUPAC5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(O)c(CC)c(=O)[nH]2)s1
InChIInChI=1S/C12H14N2O2S/c1-3-7-5-6-9(17-7)10-13-11(15)8(4-2)12(16)14-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyMXGSERJJLAFZKK-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.33
Rot. Bonds3

About 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 55215667) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID55215667
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(O)c(CC)c(=O)[nH]2)s1
InChIInChI=1S/C12H14N2O2S/c1-3-7-5-6-9(17-7)10-13-11(15)8(4-2)12(16)14-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyMXGSERJJLAFZKK-UHFFFAOYSA-N
XLogP2.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 55215667) is 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one is CCc1ccc(-c2nc(O)c(CC)c(=O)[nH]2)s1.
What is the InChIKey of 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MXGSERJJLAFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-7-5-6-9(17-7)10-13-11(15)8(4-2)12(16)14-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 250.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 55215667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).