2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine

C13H13ClN2 — CID 129051941

IUPAC2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
SMILESCCc1cnc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C13H13ClN2/c1-3-10-8-15-13(16-9(10)2)11-4-6-12(14)7-5-11/h4-8H,3H2,1-2H3
InChIKeyJNVKWSXRXDXCFA-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.67
Rot. Bonds2

About 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine

2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine (PubChem CID 129051941) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
PubChem CID129051941
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
SMILESCCc1cnc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C13H13ClN2/c1-3-10-8-15-13(16-9(10)2)11-4-6-12(14)7-5-11/h4-8H,3H2,1-2H3
InChIKeyJNVKWSXRXDXCFA-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine (CID 129051941) is 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine is CCc1cnc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine?
The InChIKey is JNVKWSXRXDXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-3-10-8-15-13(16-9(10)2)11-4-6-12(14)7-5-11/h4-8H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine?
2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine has a molecular weight of 232.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine is sourced from PubChem (CID 129051941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).