5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione

C10H16BrN3S — CID 106480879

IUPAC5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione
SMILESCCN(CC)CCc1ncc(Br)c(=S)[nH]1
InChIInChI=1S/C10H16BrN3S/c1-3-14(4-2)6-5-9-12-7-8(11)10(15)13-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVMWGORVHZILUIN-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.79
Rot. Bonds5

About 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione

5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione (PubChem CID 106480879) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione
PubChem CID106480879
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione
SMILESCCN(CC)CCc1ncc(Br)c(=S)[nH]1
InChIInChI=1S/C10H16BrN3S/c1-3-14(4-2)6-5-9-12-7-8(11)10(15)13-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVMWGORVHZILUIN-UHFFFAOYSA-N
XLogP2.79
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.79
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-2-methyl-1H-pyrimidine-6-thione
CID 121602215
2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione
CID 106476418
5-bromo-2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479084
5-bromo-2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479108
5-bromo-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione
CID 106480863
5-bromo-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-6-thione
CID 106480904
5-bromo-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidine-6-thione
CID 106480905
5-bromo-2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione
CID 106480936
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-6-thione
CID 106480944
5-bromo-2-butan-2-yl-1H-pyrimidine-6-thione
CID 106480971
5-bromo-2-(2,2-dimethylpropyl)-1H-pyrimidine-6-thione
CID 106480975
5-bromo-2-tert-butyl-1H-pyrimidine-6-thione
CID 121602270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione?
The IUPAC name of 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione (CID 106480879) is 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione?
The canonical SMILES for 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione is CCN(CC)CCc1ncc(Br)c(=S)[nH]1.
What is the InChIKey of 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione?
The InChIKey is VMWGORVHZILUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-3-14(4-2)6-5-9-12-7-8(11)10(15)13-9/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione?
5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione has a molecular weight of 290.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione is sourced from PubChem (CID 106480879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).