2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine

C15H17ClN2 — CID 116893701

IUPAC2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine
SMILESCc1cc(-c2cc(C)c(C)cc2C)nc(CCl)n1
InChIInChI=1S/C15H17ClN2/c1-9-5-11(3)13(6-10(9)2)14-7-12(4)17-15(8-16)18-14/h5-7H,8H2,1-4H3
InChIKeyWYWHHRKWNXUBJT-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.12
Rot. Bonds2

About 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine

2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine (PubChem CID 116893701) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine
PubChem CID116893701
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine
SMILESCc1cc(-c2cc(C)c(C)cc2C)nc(CCl)n1
InChIInChI=1S/C15H17ClN2/c1-9-5-11(3)13(6-10(9)2)14-7-12(4)17-15(8-16)18-14/h5-7H,8H2,1-4H3
InChIKeyWYWHHRKWNXUBJT-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.12
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

2-(chloromethyl)-4-fluoro-6-methylpyrimidine
CID 155921169
3-[2-(chloromethyl)-6-methylpyrimidin-4-yl]-1H-indole
CID 116893698
2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116893719
4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893757
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
2-(chloromethyl)-4-(3,4-difluorophenyl)-6-methylpyrimidine
CID 116893696
1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 116892504
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669
[4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-2-yl]methanamine
CID 116892370
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine?
The IUPAC name of 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine (CID 116893701) is 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine is Cc1cc(-c2cc(C)c(C)cc2C)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine?
The InChIKey is WYWHHRKWNXUBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-9-5-11(3)13(6-10(9)2)14-7-12(4)17-15(8-16)18-14/h5-7H,8H2,1-4H3.
What are the key properties of 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine?
2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine has a molecular weight of 260.77 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine is sourced from PubChem (CID 116893701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).