5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

C10H15BrN2OS — CID 106480716

IUPAC5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCCc1nc(=S)c(Br)c(COC)[nH]1
InChIInChI=1S/C10H15BrN2OS/c1-3-4-5-8-12-7(6-14-2)9(11)10(15)13-8/h3-6H2,1-2H3,(H,12,13,15)
InChIKeyVJYKFOUWPUERBL-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.39
Rot. Bonds5

About 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106480716) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106480716
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCCc1nc(=S)c(Br)c(COC)[nH]1
InChIInChI=1S/C10H15BrN2OS/c1-3-4-5-8-12-7(6-14-2)9(11)10(15)13-8/h3-6H2,1-2H3,(H,12,13,15)
InChIKeyVJYKFOUWPUERBL-UHFFFAOYSA-N
XLogP3.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106480536
5-bromo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106480554
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480555
5-bromo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 113839676
6-(methoxymethyl)-2-propyl-1H-pyrimidine-4-thione
CID 106477607
2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477784
5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479077
5-bromo-2-(1-methoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479080
5-bromo-2-(1-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479144
5-bromo-2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479150
5-bromo-2-(1-ethoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479153
5-bromo-2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480507

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106480716) is 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCCCc1nc(=S)c(Br)c(COC)[nH]1.
What is the InChIKey of 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is VJYKFOUWPUERBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-4-5-8-12-7(6-14-2)9(11)10(15)13-8/h3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 291.21 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).