4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine

C14H11F3N2 — CID 91014486

IUPAC4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nccc(C3CC3)n2)cc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)11-5-3-10(4-6-11)13-18-8-7-12(19-13)9-1-2-9/h3-9H,1-2H2
InChIKeySAGKQLAAWFVTJC-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.04
Rot. Bonds2

About 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine

4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 91014486) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID91014486
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nccc(C3CC3)n2)cc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)11-5-3-10(4-6-11)13-18-8-7-12(19-13)9-1-2-9/h3-9H,1-2H2
InChIKeySAGKQLAAWFVTJC-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine (CID 91014486) is 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2nccc(C3CC3)n2)cc1.
What is the InChIKey of 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is SAGKQLAAWFVTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)11-5-3-10(4-6-11)13-18-8-7-12(19-13)9-1-2-9/h3-9H,1-2H2.
What are the key properties of 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine?
4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 264.25 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 91014486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).