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

C15H24BrN3OS — CID 106479510

IUPAC5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(Br)c(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C15H24BrN3OS/c1-5-6-19-7-8-20-10(9-19)13-17-12(15(2,3)4)11(16)14(21)18-13/h10H,5-9H2,1-4H3,(H,17,18,21)
InChIKeyFPLKSIDUAZGOKI-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.98
Rot. Bonds3

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

5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106479510) has the molecular formula C15H24BrN3OS and a molecular weight of 374.35 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106479510
Molecular FormulaC15H24BrN3OS
Molecular Weight374.35 g/mol
Exact Mass373.08
IUPAC Name5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(Br)c(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C15H24BrN3OS/c1-5-6-19-7-8-20-10(9-19)13-17-12(15(2,3)4)11(16)14(21)18-13/h10H,5-9H2,1-4H3,(H,17,18,21)
InChIKeyFPLKSIDUAZGOKI-UHFFFAOYSA-N
XLogP3.98
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.98
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
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
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
5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476733

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106479510) is 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)c(Br)c(C(C)(C)C)[nH]2)C1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is FPLKSIDUAZGOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3OS/c1-5-6-19-7-8-20-10(9-19)13-17-12(15(2,3)4)11(16)14(21)18-13/h10H,5-9H2,1-4H3,(H,17,18,21).
What are the key properties of 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 374.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).