4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine

C15H17BrN2 — CID 114245118

IUPAC4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine
SMILESCc1cc(C)cc(Cc2ncc(C)c(CBr)n2)c1
InChIInChI=1S/C15H17BrN2/c1-10-4-11(2)6-13(5-10)7-15-17-9-12(3)14(8-16)18-15/h4-6,9H,7-8H2,1-3H3
InChIKeyUNKJYNDUQAZPIM-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.89
Rot. Bonds3

About 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine

4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine (PubChem CID 114245118) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine
PubChem CID114245118
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine
SMILESCc1cc(C)cc(Cc2ncc(C)c(CBr)n2)c1
InChIInChI=1S/C15H17BrN2/c1-10-4-11(2)6-13(5-10)7-15-17-9-12(3)14(8-16)18-15/h4-6,9H,7-8H2,1-3H3
InChIKeyUNKJYNDUQAZPIM-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[(3,5-dimethylphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431528
4-(bromomethyl)-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 114245098
4-(chloromethyl)-2-[(3,5-dimethylphenyl)methyl]pyrimidine
CID 55114251
2,4-diethyl-5-methylpyrimidine
CID 59174285
5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 66294671
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62758071
7-bromo-3-[(3,5-dimethylphenyl)methyl]isoquinoline
CID 134189433
5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66300961
5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole
CID 65266633
2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
CID 55096243
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62747758
4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine
CID 114245103

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine?
The IUPAC name of 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine (CID 114245118) is 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine.
What is the SMILES notation for 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine?
The canonical SMILES for 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine is Cc1cc(C)cc(Cc2ncc(C)c(CBr)n2)c1.
What is the InChIKey of 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine?
The InChIKey is UNKJYNDUQAZPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-4-11(2)6-13(5-10)7-15-17-9-12(3)14(8-16)18-15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine?
4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine has a molecular weight of 305.22 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-[(3,5-dimethylphenyl)methyl]-5-methylpyrimidine is sourced from PubChem (CID 114245118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).