1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one

C10H15N3OS — CID 145108454

IUPAC1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one
SMILESCc1cc(N2CCSCC2)n(C)c(=O)n1
InChIInChI=1S/C10H15N3OS/c1-8-7-9(12(2)10(14)11-8)13-3-5-15-6-4-13/h7H,3-6H2,1-2H3
InChIKeyOFECWXRWBGQTMJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.64
Rot. Bonds1

About 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one

1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one (PubChem CID 145108454) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one
PubChem CID145108454
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one
SMILESCc1cc(N2CCSCC2)n(C)c(=O)n1
InChIInChI=1S/C10H15N3OS/c1-8-7-9(12(2)10(14)11-8)13-3-5-15-6-4-13/h7H,3-6H2,1-2H3
InChIKeyOFECWXRWBGQTMJ-UHFFFAOYSA-N
XLogP0.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one?
The IUPAC name of 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one (CID 145108454) is 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one?
The canonical SMILES for 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one is Cc1cc(N2CCSCC2)n(C)c(=O)n1.
What is the InChIKey of 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one?
The InChIKey is OFECWXRWBGQTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-7-9(12(2)10(14)11-8)13-3-5-15-6-4-13/h7H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one?
1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one has a molecular weight of 225.32 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-thiomorpholin-4-ylpyrimidin-2-one is sourced from PubChem (CID 145108454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).