5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine

C13H13ClN2 — CID 13046106

IUPAC5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
SMILESCc1nc(C)c(-c2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C13H13ClN2/c1-8-13(9(2)16-10(3)15-8)11-4-6-12(14)7-5-11/h4-7H,1-3H3
InChIKeyCVWGDGRLWAHMBV-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.72
Rot. Bonds1

About 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine

5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine (PubChem CID 13046106) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
PubChem CID13046106
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
SMILESCc1nc(C)c(-c2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C13H13ClN2/c1-8-13(9(2)16-10(3)15-8)11-4-6-12(14)7-5-11/h4-7H,1-3H3
InChIKeyCVWGDGRLWAHMBV-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine (CID 13046106) is 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine is Cc1nc(C)c(-c2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine?
The InChIKey is CVWGDGRLWAHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-8-13(9(2)16-10(3)15-8)11-4-6-12(14)7-5-11/h4-7H,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine?
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine has a molecular weight of 232.71 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine is sourced from PubChem (CID 13046106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).