5-bromo-4,6-dithiophen-2-ylpyrimidine

C12H7BrN2S2 — CID 134693324

IUPAC5-bromo-4,6-dithiophen-2-ylpyrimidine
SMILESBrc1c(-c2cccs2)ncnc1-c1cccs1
InChIInChI=1S/C12H7BrN2S2/c13-10-11(8-3-1-5-16-8)14-7-15-12(10)9-4-2-6-17-9/h1-7H
InChIKeyJZIVRGAXQWDEPG-UHFFFAOYSA-N
MW323.24 g/mol
LogP4.70
Rot. Bonds2

About 5-bromo-4,6-dithiophen-2-ylpyrimidine

5-bromo-4,6-dithiophen-2-ylpyrimidine (PubChem CID 134693324) has the molecular formula C12H7BrN2S2 and a molecular weight of 323.24 g/mol. Its IUPAC name is 5-bromo-4,6-dithiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dithiophen-2-ylpyrimidine
PubChem CID134693324
Molecular FormulaC12H7BrN2S2
Molecular Weight323.24 g/mol
Exact Mass321.92
IUPAC Name5-bromo-4,6-dithiophen-2-ylpyrimidine
SMILESBrc1c(-c2cccs2)ncnc1-c1cccs1
InChIInChI=1S/C12H7BrN2S2/c13-10-11(8-3-1-5-16-8)14-7-15-12(10)9-4-2-6-17-9/h1-7H
InChIKeyJZIVRGAXQWDEPG-UHFFFAOYSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-thiophen-2-ylpyrimidine
CID 66520182
4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043862
6-bromo-2,3-dithiophen-2-ylquinoxaline
CID 130199488
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
N-phenyl-4-thiophen-2-ylpyrimidin-5-amine
CID 142763224
2-methylsulfanyl-3-thiophen-2-ylpyrazine
CID 123525610
2,3-dithiophen-2-ylpyrido[2,3-b]pyrazine
CID 4638749
2-(3,5-dibromophenyl)thiophene
CID 19006176
5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 173428603
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 61334124
2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
CID 162717711

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dithiophen-2-ylpyrimidine?
The IUPAC name of 5-bromo-4,6-dithiophen-2-ylpyrimidine (CID 134693324) is 5-bromo-4,6-dithiophen-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4,6-dithiophen-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4,6-dithiophen-2-ylpyrimidine is Brc1c(-c2cccs2)ncnc1-c1cccs1.
What is the InChIKey of 5-bromo-4,6-dithiophen-2-ylpyrimidine?
The InChIKey is JZIVRGAXQWDEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2S2/c13-10-11(8-3-1-5-16-8)14-7-15-12(10)9-4-2-6-17-9/h1-7H.
What are the key properties of 5-bromo-4,6-dithiophen-2-ylpyrimidine?
5-bromo-4,6-dithiophen-2-ylpyrimidine has a molecular weight of 323.24 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dithiophen-2-ylpyrimidine is sourced from PubChem (CID 134693324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).