2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C8H12N2O2S — CID 65130721

IUPAC2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCSCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-3-13-4-6-9-7(11)5(2)8(12)10-6/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyYMJPFSBBVQNPFE-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.04
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 65130721) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID65130721
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCSCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-3-13-4-6-9-7(11)5(2)8(12)10-6/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyYMJPFSBBVQNPFE-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 65130721) is 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCSCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is YMJPFSBBVQNPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-13-4-6-9-7(11)5(2)8(12)10-6/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 200.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65130721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).