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

C11H16BrN3OS — CID 106479306

IUPAC5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(N2CCOCC2)nc(=S)c1Br
InChIInChI=1S/C11H16BrN3OS/c1-2-3-8-9(12)10(17)14-11(13-8)15-4-6-16-7-5-15/h2-7H2,1H3,(H,13,14,17)
InChIKeyLGZZKDRXUQYBBA-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.69
Rot. Bonds3

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

5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106479306) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
PubChem CID106479306
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(N2CCOCC2)nc(=S)c1Br
InChIInChI=1S/C11H16BrN3OS/c1-2-3-8-9(12)10(17)14-11(13-8)15-4-6-16-7-5-15/h2-7H2,1H3,(H,13,14,17)
InChIKeyLGZZKDRXUQYBBA-UHFFFAOYSA-N
XLogP2.69
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.69
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

2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475115
6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106476133
5-ethyl-6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106476897
6-ethyl-5-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106478155
5-bromo-6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479056
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-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479570
5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479808
5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106480327

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione (CID 106479306) is 5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione is CCCc1[nH]c(N2CCOCC2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is LGZZKDRXUQYBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-2-3-8-9(12)10(17)14-11(13-8)15-4-6-16-7-5-15/h2-7H2,1H3,(H,13,14,17).
What are the key properties of 5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione?
5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 318.24 g/mol, XLogP of 2.69, 3 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-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).