2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine

C10H9BrN2O — CID 116897330

IUPAC2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
SMILESCc1cc(-c2ccc(C)o2)nc(Br)n1
InChIInChI=1S/C10H9BrN2O/c1-6-5-8(13-10(11)12-6)9-4-3-7(2)14-9/h3-5H,1-2H3
InChIKeyJLNLZZYOFNMGLO-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.12
Rot. Bonds1

About 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine

2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine (PubChem CID 116897330) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
PubChem CID116897330
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
SMILESCc1cc(-c2ccc(C)o2)nc(Br)n1
InChIInChI=1S/C10H9BrN2O/c1-6-5-8(13-10(11)12-6)9-4-3-7(2)14-9/h3-5H,1-2H3
InChIKeyJLNLZZYOFNMGLO-UHFFFAOYSA-N
XLogP3.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116893719
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
CID 116892451
methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
CID 116895233
2-bromo-4-(5-methylfuran-2-yl)-1,3-thiazole
CID 112623649
2-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116892858
2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
CID 116894252
1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile
CID 116896131
2-bromo-4-(2-bromophenyl)-6-methylpyrimidine
CID 116897341
2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159283
2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
CID 116897213
5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine
CID 66313382

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine?
The IUPAC name of 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine (CID 116897330) is 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine.
What is the SMILES notation for 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine?
The canonical SMILES for 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine is Cc1cc(-c2ccc(C)o2)nc(Br)n1.
What is the InChIKey of 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine?
The InChIKey is JLNLZZYOFNMGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-5-8(13-10(11)12-6)9-4-3-7(2)14-9/h3-5H,1-2H3.
What are the key properties of 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine?
2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine has a molecular weight of 253.10 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine is sourced from PubChem (CID 116897330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).