4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one

C11H14N4OS — CID 136702231

IUPAC4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(SCc2ccnn2C)n1
InChIInChI=1S/C11H14N4OS/c1-3-8-6-10(16)14-11(13-8)17-7-9-4-5-12-15(9)2/h4-6H,3,7H2,1-2H3,(H,13,14,16)
InChIKeyODFWKGKZKALEPS-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.36
Rot. Bonds4

About 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 136702231) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID136702231
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(SCc2ccnn2C)n1
InChIInChI=1S/C11H14N4OS/c1-3-8-6-10(16)14-11(13-8)17-7-9-4-5-12-15(9)2/h4-6H,3,7H2,1-2H3,(H,13,14,16)
InChIKeyODFWKGKZKALEPS-UHFFFAOYSA-N
XLogP1.36
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135561627
4-ethyl-2-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 135922231
3-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135477233
ethyl 4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 136684553
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 135561603
pentyl 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 136684668
2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135998670
propyl 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 136684492
2-ethylsulfanyl-4-(methylsulfanylmethyl)-1H-pyrimidin-6-one
CID 137014941
2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-ethyl-1H-pyrimidin-6-one
CID 154840845
4-(ethylsulfanylmethyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one
CID 136686635
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-1H-pyrimidin-6-one
CID 136684610

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 136702231) is 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(SCc2ccnn2C)n1.
What is the InChIKey of 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is ODFWKGKZKALEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-8-6-10(16)14-11(13-8)17-7-9-4-5-12-15(9)2/h4-6H,3,7H2,1-2H3,(H,13,14,16).
What are the key properties of 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 250.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136702231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).