2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine

C12H9F3N2 — CID 57227310

IUPAC2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine
SMILESCc1cc(-c2cc(F)c(F)c(F)c2)nc(C)n1
InChIInChI=1S/C12H9F3N2/c1-6-3-11(17-7(2)16-6)8-4-9(13)12(15)10(14)5-8/h3-5H,1-2H3
InChIKeyIQGFGUFKHDYVEC-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.18
Rot. Bonds1

About 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine

2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine (PubChem CID 57227310) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine
PubChem CID57227310
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine
SMILESCc1cc(-c2cc(F)c(F)c(F)c2)nc(C)n1
InChIInChI=1S/C12H9F3N2/c1-6-3-11(17-7(2)16-6)8-4-9(13)12(15)10(14)5-8/h3-5H,1-2H3
InChIKeyIQGFGUFKHDYVEC-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine?
The IUPAC name of 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine (CID 57227310) is 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine is Cc1cc(-c2cc(F)c(F)c(F)c2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine?
The InChIKey is IQGFGUFKHDYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c1-6-3-11(17-7(2)16-6)8-4-9(13)12(15)10(14)5-8/h3-5H,1-2H3.
What are the key properties of 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine?
2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine has a molecular weight of 238.21 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(3,4,5-trifluorophenyl)pyrimidine is sourced from PubChem (CID 57227310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).