4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine

C11H7Cl3N2 — CID 114879233

IUPAC4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H7Cl3N2/c1-6-15-10(5-11(14)16-6)7-2-8(12)4-9(13)3-7/h2-5H,1H3
InChIKeyWCNJBMJXHRCMFK-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.41
Rot. Bonds1

About 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine

4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine (PubChem CID 114879233) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine
PubChem CID114879233
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H7Cl3N2/c1-6-15-10(5-11(14)16-6)7-2-8(12)4-9(13)3-7/h2-5H,1H3
InChIKeyWCNJBMJXHRCMFK-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine (CID 114879233) is 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine is Cc1nc(Cl)cc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine?
The InChIKey is WCNJBMJXHRCMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c1-6-15-10(5-11(14)16-6)7-2-8(12)4-9(13)3-7/h2-5H,1H3.
What are the key properties of 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine?
4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine has a molecular weight of 273.55 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine is sourced from PubChem (CID 114879233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).