5-methyl-4-(trifluoromethyl)pyrimidine

C6H5F3N2 — CID 22095078

IUPAC5-methyl-4-(trifluoromethyl)pyrimidine
SMILESCc1cncnc1C(F)(F)F
InChIInChI=1S/C6H5F3N2/c1-4-2-10-3-11-5(4)6(7,8)9/h2-3H,1H3
InChIKeyXSJFWNXSTJTKFJ-UHFFFAOYSA-N
MW162.11 g/mol
LogP1.80
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)pyrimidine

5-methyl-4-(trifluoromethyl)pyrimidine (PubChem CID 22095078) has the molecular formula C6H5F3N2 and a molecular weight of 162.11 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)pyrimidine
PubChem CID22095078
Molecular FormulaC6H5F3N2
Molecular Weight162.11 g/mol
Exact Mass162.04
IUPAC Name5-methyl-4-(trifluoromethyl)pyrimidine
SMILESCc1cncnc1C(F)(F)F
InChIInChI=1S/C6H5F3N2/c1-4-2-10-3-11-5(4)6(7,8)9/h2-3H,1H3
InChIKeyXSJFWNXSTJTKFJ-UHFFFAOYSA-N
XLogP1.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-methyl-4-(trifluoromethyl)pyrimidine (CID 22095078) is 5-methyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)pyrimidine is Cc1cncnc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is XSJFWNXSTJTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2/c1-4-2-10-3-11-5(4)6(7,8)9/h2-3H,1H3.
What are the key properties of 5-methyl-4-(trifluoromethyl)pyrimidine?
5-methyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 162.11 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 22095078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).