4-propyl-2-(trifluoromethyl)pyrimidine

C8H9F3N2 — CID 70309281

IUPAC4-propyl-2-(trifluoromethyl)pyrimidine
SMILESCCCc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-2-3-6-4-5-12-7(13-6)8(9,10)11/h4-5H,2-3H2,1H3
InChIKeyFWVQDIMDCYBMOR-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.45
Rot. Bonds2

About 4-propyl-2-(trifluoromethyl)pyrimidine

4-propyl-2-(trifluoromethyl)pyrimidine (PubChem CID 70309281) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 4-propyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-propyl-2-(trifluoromethyl)pyrimidine
PubChem CID70309281
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name4-propyl-2-(trifluoromethyl)pyrimidine
SMILESCCCc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-2-3-6-4-5-12-7(13-6)8(9,10)11/h4-5H,2-3H2,1H3
InChIKeyFWVQDIMDCYBMOR-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

Analyze 4-propyl-2-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-propyl-2-(trifluoromethyl)pyrimidine (CID 70309281) is 4-propyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-propyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-propyl-2-(trifluoromethyl)pyrimidine is CCCc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 4-propyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is FWVQDIMDCYBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-2-3-6-4-5-12-7(13-6)8(9,10)11/h4-5H,2-3H2,1H3.
What are the key properties of 4-propyl-2-(trifluoromethyl)pyrimidine?
4-propyl-2-(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 4-propyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 70309281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).