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

C10H15BrN2O2S — CID 106480594

IUPAC5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC(C)c1nc(=S)c(Br)c(COC)[nH]1
InChIInChI=1S/C10H15BrN2O2S/c1-4-15-6(2)9-12-7(5-14-3)8(11)10(16)13-9/h6H,4-5H2,1-3H3,(H,12,13,16)
InChIKeyGTPIEEHLAVDYHW-UHFFFAOYSA-N
MW307.21 g/mol
LogP3.15
Rot. Bonds5

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

5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106480594) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106480594
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC(C)c1nc(=S)c(Br)c(COC)[nH]1
InChIInChI=1S/C10H15BrN2O2S/c1-4-15-6(2)9-12-7(5-14-3)8(11)10(16)13-9/h6H,4-5H2,1-3H3,(H,12,13,16)
InChIKeyGTPIEEHLAVDYHW-UHFFFAOYSA-N
XLogP3.15
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 53.15
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-(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-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106480608
5-bromo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 113839676
5-bromo-6-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 113839689
2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477667
2-(1-ethoxypropyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477677
2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477741
5-bromo-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106479007
5-bromo-2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479066
5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106480594) is 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCOC(C)c1nc(=S)c(Br)c(COC)[nH]1.
What is the InChIKey of 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is GTPIEEHLAVDYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-4-15-6(2)9-12-7(5-14-3)8(11)10(16)13-9/h6H,4-5H2,1-3H3,(H,12,13,16).
What are the key properties of 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 307.21 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).