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

C15H24BrN3OS — CID 106481044

IUPAC5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(Br)c(CC(C)C)[nH]2)C1
InChIInChI=1S/C15H24BrN3OS/c1-4-5-19-6-7-20-12(9-19)14-17-11(8-10(2)3)13(16)15(21)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,21)
InChIKeyLFYCMNLWPQLRNH-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.88
Rot. Bonds5

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

5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106481044) has the molecular formula C15H24BrN3OS and a molecular weight of 374.35 g/mol. Its IUPAC name is 5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106481044
Molecular FormulaC15H24BrN3OS
Molecular Weight374.35 g/mol
Exact Mass373.08
IUPAC Name5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(Br)c(CC(C)C)[nH]2)C1
InChIInChI=1S/C15H24BrN3OS/c1-4-5-19-6-7-20-12(9-19)14-17-11(8-10(2)3)13(16)15(21)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,21)
InChIKeyLFYCMNLWPQLRNH-UHFFFAOYSA-N
XLogP3.88
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.88
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-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106481044) is 5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)c(Br)c(CC(C)C)[nH]2)C1.
What is the InChIKey of 5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is LFYCMNLWPQLRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3OS/c1-4-5-19-6-7-20-12(9-19)14-17-11(8-10(2)3)13(16)15(21)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,21).
What are the key properties of 5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 374.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-methylpropyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).