5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine

C12H11ClN2O — CID 62756442

IUPAC5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ncc(CCl)cn2)cc1
InChIInChI=1S/C12H11ClN2O/c1-16-11-4-2-10(3-5-11)12-14-7-9(6-13)8-15-12/h2-5,7-8H,6H2,1H3
InChIKeyAMXJIQHLWYOPPD-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.89
Rot. Bonds3

About 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine

5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine (PubChem CID 62756442) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
PubChem CID62756442
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ncc(CCl)cn2)cc1
InChIInChI=1S/C12H11ClN2O/c1-16-11-4-2-10(3-5-11)12-14-7-9(6-13)8-15-12/h2-5,7-8H,6H2,1H3
InChIKeyAMXJIQHLWYOPPD-UHFFFAOYSA-N
XLogP2.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.89
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

5-(chloromethyl)-2-(4-methoxyphenyl)pyridine
CID 2763864
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810220
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine
CID 21288727
5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine
CID 107504527
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine
CID 162635633
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine
CID 54184232
4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine
CID 170871376
2-(4-ethoxyphenyl)-5-propylpyrimidine
CID 18702636
5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 83823920

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine (CID 62756442) is 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2ncc(CCl)cn2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine?
The InChIKey is AMXJIQHLWYOPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-11-4-2-10(3-5-11)12-14-7-9(6-13)8-15-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine?
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 62756442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).