3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one

C14H24N2O2S — CID 135885595

IUPAC3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one
SMILESCCc1c(O)nc(S[C@H](C)CC)n([C@@H](C)CC)c1=O
InChIInChI=1S/C14H24N2O2S/c1-6-9(4)16-13(18)11(8-3)12(17)15-14(16)19-10(5)7-2/h9-10,17H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyZNXMRWUEYRYFSC-VHSXEESVSA-N
MW284.43 g/mol
LogP3.37
Rot. Bonds6

About 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one

3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one (PubChem CID 135885595) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one
PubChem CID135885595
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one
SMILESCCc1c(O)nc(S[C@H](C)CC)n([C@@H](C)CC)c1=O
InChIInChI=1S/C14H24N2O2S/c1-6-9(4)16-13(18)11(8-3)12(17)15-14(16)19-10(5)7-2/h9-10,17H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyZNXMRWUEYRYFSC-VHSXEESVSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one with MolForge

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Related Compounds

3-butan-2-yl-5-ethyl-6-hydroxy-2-methylsulfanylpyrimidin-4-one
CID 135452723
2-butan-2-ylsulfanyl-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135458838
N-(2,6-dimethylphenyl)-2-[5-ethyl-4-hydroxy-6-oxo-1-[(2R)-pentan-2-yl]pyrimidin-2-yl]sulfanylacetamide
CID 135858016
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide
CID 8727316
2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135438874
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 4815367
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8727328
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2639801
2-[[3-[(2S)-butan-2-yl]-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-tert-butylacetamide
CID 95182652
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
(2S)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8849031

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one?
The IUPAC name of 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one (CID 135885595) is 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one?
The canonical SMILES for 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one is CCc1c(O)nc(S[C@H](C)CC)n([C@@H](C)CC)c1=O.
What is the InChIKey of 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one?
The InChIKey is ZNXMRWUEYRYFSC-VHSXEESVSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-9(4)16-13(18)11(8-3)12(17)15-14(16)19-10(5)7-2/h9-10,17H,6-8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one?
3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one has a molecular weight of 284.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]-2-[(2R)-butan-2-yl]sulfanyl-5-ethyl-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135885595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).