4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine

C13H10BrN3S — CID 3516975

IUPAC4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine
SMILESCc1cc(-c2sccc2Br)nc(-n2cccc2)n1
InChIInChI=1S/C13H10BrN3S/c1-9-8-11(12-10(14)4-7-18-12)16-13(15-9)17-5-2-3-6-17/h2-8H,1H3
InChIKeyVQIMBKUYHUCYOX-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.07
Rot. Bonds2

About 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine

4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine (PubChem CID 3516975) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine
PubChem CID3516975
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC Name4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine
SMILESCc1cc(-c2sccc2Br)nc(-n2cccc2)n1
InChIInChI=1S/C13H10BrN3S/c1-9-8-11(12-10(14)4-7-18-12)16-13(15-9)17-5-2-3-6-17/h2-8H,1H3
InChIKeyVQIMBKUYHUCYOX-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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Related Compounds

4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
2-(5-Bromo-2-thienyl)imidazo[1,2-a]pyridine
CID 711734
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182
5-[(4-Bromophenyl)methyl]-2-(2-thienyl)-5h-imidazo[4,5-c]pyridine
CID 10361780
5-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329792
3-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329793
5-(1-(1H-imidazol-1-yl)ethyl)-2-(thiophen-3-yl)pyridine
CID 57330005
5-Imidazol-1-ylmethyl-2-thiophen-3-yl-pyridine
CID 67515607
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
CID 9633938
2-Chloro-4-(thiophen-2-yl)pyrimidine
CID 14117941
2-(2,5-dimethyl-1H-pyrrol-1-yl)-4-(2-thienyl)pyrimidine
CID 3378098
1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbonitrile
CID 3555442

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine?
The IUPAC name of 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine (CID 3516975) is 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine is Cc1cc(-c2sccc2Br)nc(-n2cccc2)n1.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine?
The InChIKey is VQIMBKUYHUCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c1-9-8-11(12-10(14)4-7-18-12)16-13(15-9)17-5-2-3-6-17/h2-8H,1H3.
What are the key properties of 4-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine?
4-(3-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-(3-bromothiophen-2-yl)-6-methyl-2-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 3516975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).