6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one

C12H17N3OS — CID 53200972

IUPAC6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one
SMILESC=CCn1c(N2CCSCC2)nc(C)cc1=O
InChIInChI=1S/C12H17N3OS/c1-3-4-15-11(16)9-10(2)13-12(15)14-5-7-17-8-6-14/h3,9H,1,4-8H2,2H3
InChIKeyZFKNUKLOXZVUFK-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.29
Rot. Bonds3

About 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one

6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one (PubChem CID 53200972) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one
PubChem CID53200972
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one
SMILESC=CCn1c(N2CCSCC2)nc(C)cc1=O
InChIInChI=1S/C12H17N3OS/c1-3-4-15-11(16)9-10(2)13-12(15)14-5-7-17-8-6-14/h3,9H,1,4-8H2,2H3
InChIKeyZFKNUKLOXZVUFK-UHFFFAOYSA-N
XLogP1.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-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 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one?
The IUPAC name of 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one (CID 53200972) is 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one is C=CCn1c(N2CCSCC2)nc(C)cc1=O.
What is the InChIKey of 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one?
The InChIKey is ZFKNUKLOXZVUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-4-15-11(16)9-10(2)13-12(15)14-5-7-17-8-6-14/h3,9H,1,4-8H2,2H3.
What are the key properties of 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one?
6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one has a molecular weight of 251.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enyl-2-thiomorpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 53200972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).