4,5-diethyl-2-(trifluoromethyl)pyrimidine

C9H11F3N2 — CID 123807174

IUPAC4,5-diethyl-2-(trifluoromethyl)pyrimidine
SMILESCCc1cnc(C(F)(F)F)nc1CC
InChIInChI=1S/C9H11F3N2/c1-3-6-5-13-8(9(10,11)12)14-7(6)4-2/h5H,3-4H2,1-2H3
InChIKeyCRKAKRHRGVOSKV-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.62
Rot. Bonds2

About 4,5-diethyl-2-(trifluoromethyl)pyrimidine

4,5-diethyl-2-(trifluoromethyl)pyrimidine (PubChem CID 123807174) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4,5-diethyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5-diethyl-2-(trifluoromethyl)pyrimidine
PubChem CID123807174
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4,5-diethyl-2-(trifluoromethyl)pyrimidine
SMILESCCc1cnc(C(F)(F)F)nc1CC
InChIInChI=1S/C9H11F3N2/c1-3-6-5-13-8(9(10,11)12)14-7(6)4-2/h5H,3-4H2,1-2H3
InChIKeyCRKAKRHRGVOSKV-UHFFFAOYSA-N
XLogP2.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,5-diethyl-2-(trifluoromethyl)pyrimidine (CID 123807174) is 4,5-diethyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,5-diethyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,5-diethyl-2-(trifluoromethyl)pyrimidine is CCc1cnc(C(F)(F)F)nc1CC.
What is the InChIKey of 4,5-diethyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is CRKAKRHRGVOSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-3-6-5-13-8(9(10,11)12)14-7(6)4-2/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-2-(trifluoromethyl)pyrimidine?
4,5-diethyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 204.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 123807174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).