3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one

C12H20N2O2S — CID 135449206

IUPAC3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one
SMILESCCSc1nc(O)c(CC)c(=O)n1C(C)CC
InChIInChI=1S/C12H20N2O2S/c1-5-8(4)14-11(16)9(6-2)10(15)13-12(14)17-7-3/h8,15H,5-7H2,1-4H3
InChIKeyYZNDUUXCXYAYQJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.59
Rot. Bonds5

About 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one

3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one (PubChem CID 135449206) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one
PubChem CID135449206
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one
SMILESCCSc1nc(O)c(CC)c(=O)n1C(C)CC
InChIInChI=1S/C12H20N2O2S/c1-5-8(4)14-11(16)9(6-2)10(15)13-12(14)17-7-3/h8,15H,5-7H2,1-4H3
InChIKeyYZNDUUXCXYAYQJ-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one?
The IUPAC name of 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one (CID 135449206) is 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one?
The canonical SMILES for 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one is CCSc1nc(O)c(CC)c(=O)n1C(C)CC.
What is the InChIKey of 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one?
The InChIKey is YZNDUUXCXYAYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-8(4)14-11(16)9(6-2)10(15)13-12(14)17-7-3/h8,15H,5-7H2,1-4H3.
What are the key properties of 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one?
3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one has a molecular weight of 256.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135449206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).