4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine

C13H10BrN3S — CID 3755909

IUPAC4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine
SMILESCc1cc(-c2ccc(Br)s2)nc(-n2cccc2)n1
InChIInChI=1S/C13H10BrN3S/c1-9-8-10(11-4-5-12(14)18-11)16-13(15-9)17-6-2-3-7-17/h2-8H,1H3
InChIKeyDMIQCCQPGJOZFK-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.07
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine

4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine (PubChem CID 3755909) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine
PubChem CID3755909
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC Name4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine
SMILESCc1cc(-c2ccc(Br)s2)nc(-n2cccc2)n1
InChIInChI=1S/C13H10BrN3S/c1-9-8-10(11-4-5-12(14)18-11)16-13(15-9)17-6-2-3-7-17/h2-8H,1H3
InChIKeyDMIQCCQPGJOZFK-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine (CID 3755909) is 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine is Cc1cc(-c2ccc(Br)s2)nc(-n2cccc2)n1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine?
The InChIKey is DMIQCCQPGJOZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c1-9-8-10(11-4-5-12(14)18-11)16-13(15-9)17-6-2-3-7-17/h2-8H,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine?
4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine has a molecular weight of 320.22 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 3755909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).