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

C10H15BrN2OS — CID 106479077

IUPAC5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(CC)c1nc(=S)c(Br)c(C)[nH]1
InChIInChI=1S/C10H15BrN2OS/c1-4-7(14-5-2)9-12-6(3)8(11)10(15)13-9/h7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyVTULZFAMFWQUQQ-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.70
Rot. Bonds4

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

5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106479077) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106479077
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(CC)c1nc(=S)c(Br)c(C)[nH]1
InChIInChI=1S/C10H15BrN2OS/c1-4-7(14-5-2)9-12-6(3)8(11)10(15)13-9/h7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyVTULZFAMFWQUQQ-UHFFFAOYSA-N
XLogP3.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.70
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-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106479082
5-bromo-6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106479121
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475643
2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475654
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721
2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476666
2-(1-ethoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476677
2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476738
2-(1-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476744
2-(1-methoxy-2-methylpropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476745
2-(1-ethoxybutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476747
2-(1-ethoxy-2-methylpropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476785

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione (CID 106479077) is 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione is CCOC(CC)c1nc(=S)c(Br)c(C)[nH]1.
What is the InChIKey of 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is VTULZFAMFWQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-4-7(14-5-2)9-12-6(3)8(11)10(15)13-9/h7H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 291.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).