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

C11H18BrN3S — CID 106479381

IUPAC5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(N(CC)CC)nc(=S)c1Br
InChIInChI=1S/C11H18BrN3S/c1-4-7-8-9(12)10(16)14-11(13-8)15(5-2)6-3/h4-7H2,1-3H3,(H,13,14,16)
InChIKeyJXFHMYWFTPDLGG-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.70
Rot. Bonds5

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

5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106479381) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106479381
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(N(CC)CC)nc(=S)c1Br
InChIInChI=1S/C11H18BrN3S/c1-4-7-8-9(12)10(16)14-11(13-8)15(5-2)6-3/h4-7H2,1-3H3,(H,13,14,16)
InChIKeyJXFHMYWFTPDLGG-UHFFFAOYSA-N
XLogP3.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
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

2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476970
2-(diethylamino)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478229
5-bromo-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106478975
5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106479127
5-bromo-6-propyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106479232
5-bromo-2-(dimethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106479258
5-bromo-2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479339
5-bromo-2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479361
5-bromo-2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479397
5-bromo-6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106479529
5-bromo-6-tert-butyl-2-(diethylamino)-1H-pyrimidine-4-thione
CID 106479640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione (CID 106479381) is 5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione is CCCc1[nH]c(N(CC)CC)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is JXFHMYWFTPDLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-4-7-8-9(12)10(16)14-11(13-8)15(5-2)6-3/h4-7H2,1-3H3,(H,13,14,16).
What are the key properties of 5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione?
5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 304.26 g/mol, XLogP of 3.70, 5 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-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).