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

C13H20BrN3OS — CID 106479746

IUPAC5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(Br)c(CC)[nH]2)C1
InChIInChI=1S/C13H20BrN3OS/c1-3-5-17-6-7-18-10(8-17)12-15-9(4-2)11(14)13(19)16-12/h10H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyQUYPJPJAYVLLOH-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.25
Rot. Bonds4

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

5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106479746) has the molecular formula C13H20BrN3OS and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106479746
Molecular FormulaC13H20BrN3OS
Molecular Weight346.29 g/mol
Exact Mass345.05
IUPAC Name5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(Br)c(CC)[nH]2)C1
InChIInChI=1S/C13H20BrN3OS/c1-3-5-17-6-7-18-10(8-17)12-15-9(4-2)11(14)13(19)16-12/h10H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyQUYPJPJAYVLLOH-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'}

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Related Compounds

5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106480010
5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481184
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657802
5-bromo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657186
[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
CID 79657962
2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine
CID 79669077
2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
CID 79657119
5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione
CID 106480980
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
5-bromo-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657263
6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476209
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106479746) is 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)c(Br)c(CC)[nH]2)C1.
What is the InChIKey of 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is QUYPJPJAYVLLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3OS/c1-3-5-17-6-7-18-10(8-17)12-15-9(4-2)11(14)13(19)16-12/h10H,3-8H2,1-2H3,(H,15,16,19).
What are the key properties of 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-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-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).