2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine

C18H14F2N2 — CID 20683281

IUPAC2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cnc(-c3cc(F)c(C)c(F)c3)nc2)cc1
InChIInChI=1S/C18H14F2N2/c1-11-3-5-13(6-4-11)15-9-21-18(22-10-15)14-7-16(19)12(2)17(20)8-14/h3-10H,1-2H3
InChIKeyJCZXAMJIUFZHNE-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.71
Rot. Bonds2

About 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine

2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine (PubChem CID 20683281) has the molecular formula C18H14F2N2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine
PubChem CID20683281
Molecular FormulaC18H14F2N2
Molecular Weight296.32 g/mol
Exact Mass296.11
IUPAC Name2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cnc(-c3cc(F)c(C)c(F)c3)nc2)cc1
InChIInChI=1S/C18H14F2N2/c1-11-3-5-13(6-4-11)15-9-21-18(22-10-15)14-7-16(19)12(2)17(20)8-14/h3-10H,1-2H3
InChIKeyJCZXAMJIUFZHNE-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine?
The IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine (CID 20683281) is 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine?
The canonical SMILES for 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine is Cc1ccc(-c2cnc(-c3cc(F)c(C)c(F)c3)nc2)cc1.
What is the InChIKey of 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine?
The InChIKey is JCZXAMJIUFZHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2/c1-11-3-5-13(6-4-11)15-9-21-18(22-10-15)14-7-16(19)12(2)17(20)8-14/h3-10H,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine?
2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine has a molecular weight of 296.32 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 20683281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).