6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione

C14H23N3OS — CID 106478096

IUPAC6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(C)c(CC)[nH]2)C1
InChIInChI=1S/C14H23N3OS/c1-4-6-17-7-8-18-12(9-17)13-15-11(5-2)10(3)14(19)16-13/h12H,4-9H2,1-3H3,(H,15,16,19)
InChIKeyVEVPMBODWHISQM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.79
Rot. Bonds4

About 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione

6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106478096) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106478096
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(C)c(CC)[nH]2)C1
InChIInChI=1S/C14H23N3OS/c1-4-6-17-7-8-18-12(9-17)13-15-11(5-2)10(3)14(19)16-13/h12H,4-9H2,1-3H3,(H,15,16,19)
InChIKeyVEVPMBODWHISQM-UHFFFAOYSA-N
XLogP2.79
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione 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-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106478096) is 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)c(C)c(CC)[nH]2)C1.
What is the InChIKey of 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is VEVPMBODWHISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-6-17-7-8-18-12(9-17)13-15-11(5-2)10(3)14(19)16-13/h12H,4-9H2,1-3H3,(H,15,16,19).
What are the key properties of 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 281.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).