1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one

C9H13N3OS — CID 175737668

IUPAC1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one
SMILESCn1c(N2CCSCC2)ccnc1=O
InChIInChI=1S/C9H13N3OS/c1-11-8(2-3-10-9(11)13)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3
InChIKeyINXNPZOGLLLQAJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.33
Rot. Bonds1

About 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one

1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one (PubChem CID 175737668) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one
PubChem CID175737668
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one
SMILESCn1c(N2CCSCC2)ccnc1=O
InChIInChI=1S/C9H13N3OS/c1-11-8(2-3-10-9(11)13)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3
InChIKeyINXNPZOGLLLQAJ-UHFFFAOYSA-N
XLogP0.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one?
The IUPAC name of 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one (CID 175737668) is 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one.
What is the SMILES notation for 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one?
The canonical SMILES for 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one is Cn1c(N2CCSCC2)ccnc1=O.
What is the InChIKey of 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one?
The InChIKey is INXNPZOGLLLQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-11-8(2-3-10-9(11)13)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3.
What are the key properties of 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one?
1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one has a molecular weight of 211.29 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one is sourced from PubChem (CID 175737668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).