2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one

C8H12N2O2S — CID 796573

IUPAC2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC[C@@H](C)Sc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-3-5(2)13-8-9-6(11)4-7(12)10-8/h4-5H,3H2,1-2H3,(H2,9,10,11,12)/t5-/m1/s1
InChIKeyWWGZKYNFFKZCFX-RXMQYKEDSA-N
MW200.26 g/mol
LogP1.37
Rot. Bonds3

About 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one

2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 796573) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID796573
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC[C@@H](C)Sc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-3-5(2)13-8-9-6(11)4-7(12)10-8/h4-5H,3H2,1-2H3,(H2,9,10,11,12)/t5-/m1/s1
InChIKeyWWGZKYNFFKZCFX-RXMQYKEDSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one (CID 796573) is 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one is CC[C@@H](C)Sc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WWGZKYNFFKZCFX-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-5(2)13-8-9-6(11)4-7(12)10-8/h4-5H,3H2,1-2H3,(H2,9,10,11,12)/t5-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one?
2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 200.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 796573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).