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

C13H20BrN3OS — CID 106479446

IUPAC5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(C2CN(CC)CCO2)nc(=S)c1Br
InChIInChI=1S/C13H20BrN3OS/c1-3-5-9-11(14)13(19)16-12(15-9)10-8-17(4-2)6-7-18-10/h10H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyWJWPMAKKHNOKBJ-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.25
Rot. Bonds4

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

5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106479446) has the molecular formula C13H20BrN3OS and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106479446
Molecular FormulaC13H20BrN3OS
Molecular Weight346.29 g/mol
Exact Mass345.05
IUPAC Name5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(C2CN(CC)CCO2)nc(=S)c1Br
InChIInChI=1S/C13H20BrN3OS/c1-3-5-9-11(14)13(19)16-12(15-9)10-8-17(4-2)6-7-18-10/h10H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyWJWPMAKKHNOKBJ-UHFFFAOYSA-N
XLogP3.25
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-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

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475057
2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475251
2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475291
6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475314
2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475457
6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475817
6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476010
6-tert-butyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476046
6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476067
6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476209
6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476289
5-ethyl-6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476834

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione (CID 106479446) is 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione is CCCc1[nH]c(C2CN(CC)CCO2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is WJWPMAKKHNOKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3OS/c1-3-5-9-11(14)13(19)16-12(15-9)10-8-17(4-2)6-7-18-10/h10H,3-8H2,1-2H3,(H,15,16,19).
What are the key properties of 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 346.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).