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

C9H14BrN3S — CID 106479127

IUPAC5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(Br)c(C)[nH]1
InChIInChI=1S/C9H14BrN3S/c1-4-13(5-2)9-11-6(3)7(10)8(14)12-9/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyCWTLMMQRCJPZDL-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.06
Rot. Bonds3

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

5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106479127) has the molecular formula C9H14BrN3S and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106479127
Molecular FormulaC9H14BrN3S
Molecular Weight276.20 g/mol
Exact Mass275.01
IUPAC Name5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(Br)c(C)[nH]1
InChIInChI=1S/C9H14BrN3S/c1-4-13(5-2)9-11-6(3)7(10)8(14)12-9/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyCWTLMMQRCJPZDL-UHFFFAOYSA-N
XLogP3.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.06
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

2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106475698
2-(diethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476721
5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106478974
5-bromo-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106478975
5-bromo-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106479003
5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106479004
5-bromo-2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479140
5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106479381
5-bromo-2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106479761
5-bromo-2-(diethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106479887
5-bromo-2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480144
5-bromo-2-(diethylamino)-1H-pyrimidine-6-thione
CID 106480925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione (CID 106479127) is 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione is CCN(CC)c1nc(=S)c(Br)c(C)[nH]1.
What is the InChIKey of 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is CWTLMMQRCJPZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3S/c1-4-13(5-2)9-11-6(3)7(10)8(14)12-9/h4-5H2,1-3H3,(H,11,12,14).
What are the key properties of 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione?
5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 276.20 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).