5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione

C9H14BrN3S — CID 106479900

IUPAC5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(CN(C)C)nc(=S)c1Br
InChIInChI=1S/C9H14BrN3S/c1-4-6-8(10)9(14)12-7(11-6)5-13(2)3/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyMJSLCDXLCDYREV-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.53
Rot. Bonds3

About 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione

5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106479900) has the molecular formula C9H14BrN3S and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106479900
Molecular FormulaC9H14BrN3S
Molecular Weight276.20 g/mol
Exact Mass275.01
IUPAC Name5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(CN(C)C)nc(=S)c1Br
InChIInChI=1S/C9H14BrN3S/c1-4-6-8(10)9(14)12-7(11-6)5-13(2)3/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyMJSLCDXLCDYREV-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476210
2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476983
2-[(dimethylamino)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478242
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-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479140
5-bromo-2,6-dipropyl-1H-pyrimidine-4-thione
CID 106479257
5-bromo-2-(1,4-dimethylpiperazin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479324
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-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479362
5-bromo-2-ethyl-6-propyl-1H-pyrimidine-4-thione
CID 106479382

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione (CID 106479900) is 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione is CCc1[nH]c(CN(C)C)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is MJSLCDXLCDYREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3S/c1-4-6-8(10)9(14)12-7(11-6)5-13(2)3/h4-5H2,1-3H3,(H,11,12,14).
What are the key properties of 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione?
5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 276.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).