5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione

C15H22BrN3OS — CID 106482196

IUPAC5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)c(Br)c(C3CCCC3)[nH]2)C1
InChIInChI=1S/C15H22BrN3OS/c1-2-19-7-8-20-11(9-19)14-17-13(10-5-3-4-6-10)12(16)15(21)18-14/h10-11H,2-9H2,1H3,(H,17,18,21)
InChIKeyQCGYCLNPSWVEPD-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.95
Rot. Bonds3

About 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione

5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106482196) has the molecular formula C15H22BrN3OS and a molecular weight of 372.33 g/mol. Its IUPAC name is 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106482196
Molecular FormulaC15H22BrN3OS
Molecular Weight372.33 g/mol
Exact Mass371.07
IUPAC Name5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)c(Br)c(C3CCCC3)[nH]2)C1
InChIInChI=1S/C15H22BrN3OS/c1-2-19-7-8-20-11(9-19)14-17-13(10-5-3-4-6-10)12(16)15(21)18-14/h10-11H,2-9H2,1H3,(H,17,18,21)
InChIKeyQCGYCLNPSWVEPD-UHFFFAOYSA-N
XLogP3.95
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-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

Related Compounds

2-(4-Propylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477339
2-(4-Methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477488
2-(4-Ethylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477537
2-(4-Propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477575
6-methyl-5-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106477845
6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477992
2-(4-ethylmorpholin-2-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478038
5-bromo-6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106479243
5-bromo-2-(4-methylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479396
5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479446
5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479486
5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106479510

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106482196) is 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCN1CCOC(c2nc(=S)c(Br)c(C3CCCC3)[nH]2)C1.
What is the InChIKey of 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is QCGYCLNPSWVEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3OS/c1-2-19-7-8-20-11(9-19)14-17-13(10-5-3-4-6-10)12(16)15(21)18-14/h10-11H,2-9H2,1H3,(H,17,18,21).
What are the key properties of 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione?
5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 372.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopentyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).