4-(chloromethyl)-2-(2-methylphenyl)pyrimidine

C12H11ClN2 — CID 62747241

IUPAC4-(chloromethyl)-2-(2-methylphenyl)pyrimidine
SMILESCc1ccccc1-c1nccc(CCl)n1
InChIInChI=1S/C12H11ClN2/c1-9-4-2-3-5-11(9)12-14-7-6-10(8-13)15-12/h2-7H,8H2,1H3
InChIKeyZOBVQISKOQTTOM-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.19
Rot. Bonds2

About 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine

4-(chloromethyl)-2-(2-methylphenyl)pyrimidine (PubChem CID 62747241) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-methylphenyl)pyrimidine
PubChem CID62747241
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-(chloromethyl)-2-(2-methylphenyl)pyrimidine
SMILESCc1ccccc1-c1nccc(CCl)n1
InChIInChI=1S/C12H11ClN2/c1-9-4-2-3-5-11(9)12-14-7-6-10(8-13)15-12/h2-7H,8H2,1H3
InChIKeyZOBVQISKOQTTOM-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine?
The IUPAC name of 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine (CID 62747241) is 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine?
The canonical SMILES for 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine is Cc1ccccc1-c1nccc(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine?
The InChIKey is ZOBVQISKOQTTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9-4-2-3-5-11(9)12-14-7-6-10(8-13)15-12/h2-7H,8H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine?
4-(chloromethyl)-2-(2-methylphenyl)pyrimidine has a molecular weight of 218.69 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-methylphenyl)pyrimidine is sourced from PubChem (CID 62747241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).