5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione

C11H10Br2N2S2 — CID 106480237

IUPAC5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1[nH]c(-c2ccc(Br)s2)nc(=S)c1Br
InChIInChI=1S/C11H10Br2N2S2/c1-5(2)9-8(13)11(16)15-10(14-9)6-3-4-7(12)17-6/h3-5H,1-2H3,(H,14,15,16)
InChIKeyOCJPBTUDTYHDHD-UHFFFAOYSA-N
MW394.16 g/mol
LogP5.52
Rot. Bonds2

About 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione

5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106480237) has the molecular formula C11H10Br2N2S2 and a molecular weight of 394.16 g/mol. Its IUPAC name is 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106480237
Molecular FormulaC11H10Br2N2S2
Molecular Weight394.16 g/mol
Exact Mass391.87
IUPAC Name5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1[nH]c(-c2ccc(Br)s2)nc(=S)c1Br
InChIInChI=1S/C11H10Br2N2S2/c1-5(2)9-8(13)11(16)15-10(14-9)6-3-4-7(12)17-6/h3-5H,1-2H3,(H,14,15,16)
InChIKeyOCJPBTUDTYHDHD-UHFFFAOYSA-N
XLogP5.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.16
LogP ≤ 55.52
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-(5-bromothiophen-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476810
5-bromo-2-(2-phenylethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480071
5-bromo-2-(3-bromo-4-chlorophenyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480124
5-bromo-2-(methoxymethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480222
5-bromo-2-(tert-butylsulfanylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480116
5-bromo-2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480009
5-bromo-2-(3-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480032
5-bromo-2-(3-ethoxypentan-3-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480128
2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
CID 63723168
5-bromo-2-(4,4-dimethylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480007
2-(5-bromothiophen-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285974
5-bromo-6-ethyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione
CID 106479987

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106480237) is 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1[nH]c(-c2ccc(Br)s2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is OCJPBTUDTYHDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2S2/c1-5(2)9-8(13)11(16)15-10(14-9)6-3-4-7(12)17-6/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 394.16 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromothiophen-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).