5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione

C10H13BrN2OS — CID 106479113

IUPAC5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)c(Br)c(C)[nH]2)CCC1
InChIInChI=1S/C10H13BrN2OS/c1-6-7(11)8(15)13-9(12-6)10(14-2)4-3-5-10/h3-5H2,1-2H3,(H,12,13,15)
InChIKeyGFPHEOZSXKDTHG-UHFFFAOYSA-N
MW289.20 g/mol
LogP3.24
Rot. Bonds2

About 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione

5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106479113) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106479113
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)c(Br)c(C)[nH]2)CCC1
InChIInChI=1S/C10H13BrN2OS/c1-6-7(11)8(15)13-9(12-6)10(14-2)4-3-5-10/h3-5H2,1-2H3,(H,12,13,15)
InChIKeyGFPHEOZSXKDTHG-UHFFFAOYSA-N
XLogP3.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 53.24
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-cyclopropyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106480297
2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476786
5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773826
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746
5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136951896
5-bromo-2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136964025
5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963886
6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478296
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
5-bromo-2-(2-methoxypropan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106479141
2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione (CID 106479113) is 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione is COC1(c2nc(=S)c(Br)c(C)[nH]2)CCC1.
What is the InChIKey of 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is GFPHEOZSXKDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-6-7(11)8(15)13-9(12-6)10(14-2)4-3-5-10/h3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione?
5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 289.20 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).