2-(3,4-difluorophenyl)-5-methylpyrimidine

C11H8F2N2 — CID 14365247

IUPAC2-(3,4-difluorophenyl)-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C11H8F2N2/c1-7-5-14-11(15-6-7)8-2-3-9(12)10(13)4-8/h2-6H,1H3
InChIKeyAUZJIOAZZZKTJO-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.73
Rot. Bonds1

About 2-(3,4-difluorophenyl)-5-methylpyrimidine

2-(3,4-difluorophenyl)-5-methylpyrimidine (PubChem CID 14365247) has the molecular formula C11H8F2N2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-methylpyrimidine
PubChem CID14365247
Molecular FormulaC11H8F2N2
Molecular Weight206.19 g/mol
Exact Mass206.07
IUPAC Name2-(3,4-difluorophenyl)-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C11H8F2N2/c1-7-5-14-11(15-6-7)8-2-3-9(12)10(13)4-8/h2-6H,1H3
InChIKeyAUZJIOAZZZKTJO-UHFFFAOYSA-N
XLogP2.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-methylpyrimidine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-methylpyrimidine (CID 14365247) is 2-(3,4-difluorophenyl)-5-methylpyrimidine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-methylpyrimidine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-methylpyrimidine is Cc1cnc(-c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-methylpyrimidine?
The InChIKey is AUZJIOAZZZKTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2/c1-7-5-14-11(15-6-7)8-2-3-9(12)10(13)4-8/h2-6H,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-methylpyrimidine?
2-(3,4-difluorophenyl)-5-methylpyrimidine has a molecular weight of 206.19 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-methylpyrimidine is sourced from PubChem (CID 14365247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).