5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine

C11H11BrN2O — CID 130483314

IUPAC5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
SMILESCc1nc(-c2ccoc2C)ncc1CBr
InChIInChI=1S/C11H11BrN2O/c1-7-9(5-12)6-13-11(14-7)10-3-4-15-8(10)2/h3-4,6H,5H2,1-2H3
InChIKeyUNEWUIGMJFTNBK-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.25
Rot. Bonds2

About 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine

5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine (PubChem CID 130483314) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
PubChem CID130483314
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
SMILESCc1nc(-c2ccoc2C)ncc1CBr
InChIInChI=1S/C11H11BrN2O/c1-7-9(5-12)6-13-11(14-7)10-3-4-15-8(10)2/h3-4,6H,5H2,1-2H3
InChIKeyUNEWUIGMJFTNBK-UHFFFAOYSA-N
XLogP3.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol
CID 114205160
5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790716
3-(bromomethyl)-2-methylfuran
CID 14141407
N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 114245237
2-(2-methylfuran-3-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 104790568
2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 104790877
4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
CID 104791061
N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 104790829
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 104790857
2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid
CID 104790501
5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788713

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine?
The IUPAC name of 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine (CID 130483314) is 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine is Cc1nc(-c2ccoc2C)ncc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine?
The InChIKey is UNEWUIGMJFTNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-9(5-12)6-13-11(14-7)10-3-4-15-8(10)2/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine?
5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine has a molecular weight of 267.13 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine is sourced from PubChem (CID 130483314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).