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

C14H22BrN3OS — CID 106480010

IUPAC5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(Br)c(C(C)C)[nH]2)C1
InChIInChI=1S/C14H22BrN3OS/c1-4-5-18-6-7-19-10(8-18)13-16-12(9(2)3)11(15)14(20)17-13/h9-10H,4-8H2,1-3H3,(H,16,17,20)
InChIKeyUYVBPAKPKLIKRJ-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.81
Rot. Bonds4

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

5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106480010) has the molecular formula C14H22BrN3OS and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106480010
Molecular FormulaC14H22BrN3OS
Molecular Weight360.32 g/mol
Exact Mass359.07
IUPAC Name5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)c(Br)c(C(C)C)[nH]2)C1
InChIInChI=1S/C14H22BrN3OS/c1-4-5-18-6-7-19-10(8-18)13-16-12(9(2)3)11(15)14(20)17-13/h9-10H,4-8H2,1-3H3,(H,16,17,20)
InChIKeyUYVBPAKPKLIKRJ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106479746
5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481184
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
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657802
2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine
CID 79669077
2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
CID 79657119
4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664456
5-bromo-2-(4,4-dimethylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480007
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106480010) is 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)c(Br)c(C(C)C)[nH]2)C1.
What is the InChIKey of 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is UYVBPAKPKLIKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3OS/c1-4-5-18-6-7-19-10(8-18)13-16-12(9(2)3)11(15)14(20)17-13/h9-10H,4-8H2,1-3H3,(H,16,17,20).
What are the key properties of 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 360.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).