4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine

C13H13ClN2O — CID 62744844

IUPAC4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccccc1-c1nc(C)cc(CCl)n1
InChIInChI=1S/C13H13ClN2O/c1-9-7-10(8-14)16-13(15-9)11-5-3-4-6-12(11)17-2/h3-7H,8H2,1-2H3
InChIKeyCMSSQTUGNPPKFN-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.20
Rot. Bonds3

About 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine

4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine (PubChem CID 62744844) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
PubChem CID62744844
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccccc1-c1nc(C)cc(CCl)n1
InChIInChI=1S/C13H13ClN2O/c1-9-7-10(8-14)16-13(15-9)11-5-3-4-6-12(11)17-2/h3-7H,8H2,1-2H3
InChIKeyCMSSQTUGNPPKFN-UHFFFAOYSA-N
XLogP3.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.20
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-(chloromethyl)-2-(3-methoxyphenyl)-6-methylpyrimidine
CID 55114193
[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
CID 106819856
4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557608
2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine
CID 30032668
N-ethyl-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 62320794
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
4-(chloromethyl)-6-methyl-2-(phenoxymethyl)pyrimidine
CID 62745019
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
N-[[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 106819838
2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 28908823
4-(chloromethyl)-N-(3-methoxyphenyl)-N,6-dimethylpyrimidin-2-amine
CID 114220031
4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine
CID 62320318

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine?
The IUPAC name of 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine (CID 62744844) is 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine is COc1ccccc1-c1nc(C)cc(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine?
The InChIKey is CMSSQTUGNPPKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-7-10(8-14)16-13(15-9)11-5-3-4-6-12(11)17-2/h3-7H,8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine?
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine is sourced from PubChem (CID 62744844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).