2-propyl-4-(trifluoromethyl)pyrimidine

C8H9F3N2 — CID 22008852

IUPAC2-propyl-4-(trifluoromethyl)pyrimidine
SMILESCCCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-2-3-7-12-5-4-6(13-7)8(9,10)11/h4-5H,2-3H2,1H3
InChIKeyXCIAJKUGBIUKPB-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.45
Rot. Bonds2

About 2-propyl-4-(trifluoromethyl)pyrimidine

2-propyl-4-(trifluoromethyl)pyrimidine (PubChem CID 22008852) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-propyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-propyl-4-(trifluoromethyl)pyrimidine
PubChem CID22008852
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-propyl-4-(trifluoromethyl)pyrimidine
SMILESCCCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-2-3-7-12-5-4-6(13-7)8(9,10)11/h4-5H,2-3H2,1H3
InChIKeyXCIAJKUGBIUKPB-UHFFFAOYSA-N
XLogP2.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-propyl-4-(trifluoromethyl)pyrimidine (CID 22008852) is 2-propyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-propyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-propyl-4-(trifluoromethyl)pyrimidine is CCCc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-propyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is XCIAJKUGBIUKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-2-3-7-12-5-4-6(13-7)8(9,10)11/h4-5H,2-3H2,1H3.
What are the key properties of 2-propyl-4-(trifluoromethyl)pyrimidine?
2-propyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 190.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 22008852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).