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

C14H22BrN3OS — CID 106481223

IUPAC5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)c(Br)c(CC(C)C)[nH]2)C1
InChIInChI=1S/C14H22BrN3OS/c1-4-18-5-6-19-11(8-18)13-16-10(7-9(2)3)12(15)14(20)17-13/h9,11H,4-8H2,1-3H3,(H,16,17,20)
InChIKeyLXIVBKXNXWNZBK-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.49
Rot. Bonds4

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

5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106481223) has the molecular formula C14H22BrN3OS and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106481223
Molecular FormulaC14H22BrN3OS
Molecular Weight360.32 g/mol
Exact Mass359.07
IUPAC Name5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)c(Br)c(CC(C)C)[nH]2)C1
InChIInChI=1S/C14H22BrN3OS/c1-4-18-5-6-19-11(8-18)13-16-10(7-9(2)3)12(15)14(20)17-13/h9,11H,4-8H2,1-3H3,(H,16,17,20)
InChIKeyLXIVBKXNXWNZBK-UHFFFAOYSA-N
XLogP3.49
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.49
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

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-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475541
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
5-ethyl-6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476834
5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106477029
5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106477067
2-(4-Propylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477339

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106481223) is 5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is CCN1CCOC(c2nc(=S)c(Br)c(CC(C)C)[nH]2)C1.
What is the InChIKey of 5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is LXIVBKXNXWNZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3OS/c1-4-18-5-6-19-11(8-18)13-16-10(7-9(2)3)12(15)14(20)17-13/h9,11H,4-8H2,1-3H3,(H,16,17,20).
What are the key properties of 5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
5-bromo-2-(4-ethylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 360.32 g/mol, XLogP of 3.49, 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-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).