5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione

C8H10BrN3OS — CID 106480848

IUPAC5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione
SMILESS=c1[nH]c(N2CCOCC2)ncc1Br
InChIInChI=1S/C8H10BrN3OS/c9-6-5-10-8(11-7(6)14)12-1-3-13-4-2-12/h5H,1-4H2,(H,10,11,14)
InChIKeyQAAWMEXVIUUUSM-UHFFFAOYSA-N
MW276.16 g/mol
LogP1.74
Rot. Bonds1

About 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione

5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione (PubChem CID 106480848) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione
PubChem CID106480848
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC Name5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione
SMILESS=c1[nH]c(N2CCOCC2)ncc1Br
InChIInChI=1S/C8H10BrN3OS/c9-6-5-10-8(11-7(6)14)12-1-3-13-4-2-12/h5H,1-4H2,(H,10,11,14)
InChIKeyQAAWMEXVIUUUSM-UHFFFAOYSA-N
XLogP1.74
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione with MolForge

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

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-1H-pyrimidine-6-thione
CID 106476384
5-bromo-6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione?
The IUPAC name of 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione (CID 106480848) is 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione?
The canonical SMILES for 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione is S=c1[nH]c(N2CCOCC2)ncc1Br.
What is the InChIKey of 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione?
The InChIKey is QAAWMEXVIUUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c9-6-5-10-8(11-7(6)14)12-1-3-13-4-2-12/h5H,1-4H2,(H,10,11,14).
What are the key properties of 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione?
5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione has a molecular weight of 276.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-morpholin-4-yl-1H-pyrimidine-6-thione is sourced from PubChem (CID 106480848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).