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

C11H17N3O2S — CID 136741023

IUPAC5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCSCC2)[nH]c(=O)c1CCO
InChIInChI=1S/C11H17N3O2S/c1-8-9(2-5-15)10(16)13-11(12-8)14-3-6-17-7-4-14/h15H,2-7H2,1H3,(H,12,13,16)
InChIKeyFJGQUJNWELUNSM-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.17
Rot. Bonds3

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

5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 136741023) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
PubChem CID136741023
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCSCC2)[nH]c(=O)c1CCO
InChIInChI=1S/C11H17N3O2S/c1-8-9(2-5-15)10(16)13-11(12-8)14-3-6-17-7-4-14/h15H,2-7H2,1H3,(H,12,13,16)
InChIKeyFJGQUJNWELUNSM-UHFFFAOYSA-N
XLogP0.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one (CID 136741023) is 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one is Cc1nc(N2CCSCC2)[nH]c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is FJGQUJNWELUNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-9(2-5-15)10(16)13-11(12-8)14-3-6-17-7-4-14/h15H,2-7H2,1H3,(H,12,13,16).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 255.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136741023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).