2-methyl-4-(trifluoromethyl)pyrimidine

C6H5F3N2 — CID 10103447

IUPAC2-methyl-4-(trifluoromethyl)pyrimidine
SMILESCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3H,1H3
InChIKeyZVMBMBOULDNRBQ-UHFFFAOYSA-N
MW162.11 g/mol
LogP1.80
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)pyrimidine

2-methyl-4-(trifluoromethyl)pyrimidine (PubChem CID 10103447) has the molecular formula C6H5F3N2 and a molecular weight of 162.11 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)pyrimidine
PubChem CID10103447
Molecular FormulaC6H5F3N2
Molecular Weight162.11 g/mol
Exact Mass162.04
IUPAC Name2-methyl-4-(trifluoromethyl)pyrimidine
SMILESCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3H,1H3
InChIKeyZVMBMBOULDNRBQ-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 2-methyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidine (CID 10103447) is 2-methyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)pyrimidine is Cc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is ZVMBMBOULDNRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)pyrimidine?
2-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 2-methyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 10103447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).