4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

C7H10N2O2S — CID 135470126

IUPAC4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(SC)n1
InChIInChI=1S/C7H10N2O2S/c1-11-4-5-3-6(10)9-7(8-5)12-2/h3H,4H2,1-2H3,(H,8,9,10)
InChIKeyOWIFCBBLFPQMSJ-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.64
Rot. Bonds3

About 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135470126) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135470126
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(SC)n1
InChIInChI=1S/C7H10N2O2S/c1-11-4-5-3-6(10)9-7(8-5)12-2/h3H,4H2,1-2H3,(H,8,9,10)
InChIKeyOWIFCBBLFPQMSJ-UHFFFAOYSA-N
XLogP0.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135470126) is 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(SC)n1.
What is the InChIKey of 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is OWIFCBBLFPQMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-11-4-5-3-6(10)9-7(8-5)12-2/h3H,4H2,1-2H3,(H,8,9,10).
What are the key properties of 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 186.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135470126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).