5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

C8H12N2O2S — CID 135411154

IUPAC5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-5-6(3-4-11)7(12)10-8(9-5)13-2/h11H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyYZKGFQOBXIGBEF-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.34
Rot. Bonds3

About 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135411154) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135411154
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-5-6(3-4-11)7(12)10-8(9-5)13-2/h11H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyYZKGFQOBXIGBEF-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135411154) is 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(C)c(CCO)c(=O)[nH]1.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is YZKGFQOBXIGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-6(3-4-11)7(12)10-8(9-5)13-2/h11H,3-4H2,1-2H3,(H,9,10,12).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 200.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135411154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).