4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine

C14H11F3N2 — CID 74237104

IUPAC4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cc(C3CC3)ncn2)c1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)11-3-1-2-10(6-11)13-7-12(9-4-5-9)18-8-19-13/h1-3,6-9H,4-5H2
InChIKeyILMIIZCIRORBOR-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.04
Rot. Bonds2

About 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine

4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 74237104) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID74237104
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cc(C3CC3)ncn2)c1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)11-3-1-2-10(6-11)13-7-12(9-4-5-9)18-8-19-13/h1-3,6-9H,4-5H2
InChIKeyILMIIZCIRORBOR-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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Related Compounds

4-[3-(1,1-difluoroethyl)phenyl]-6-(trifluoromethyl)pyrimidine
CID 90433973
N-[6-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonyl]methanimine oxide
CID 162591677
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
2-cyclopentyl-4-(trifluoromethyl)pyridine
CID 144787930
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 63868345
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168821693
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
4-(pyrrolidine-1-carbonyl)-3-[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-one
CID 66740533
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 67154905
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine (CID 74237104) is 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1cccc(-c2cc(C3CC3)ncn2)c1.
What is the InChIKey of 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is ILMIIZCIRORBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)11-3-1-2-10(6-11)13-7-12(9-4-5-9)18-8-19-13/h1-3,6-9H,4-5H2.
What are the key properties of 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine?
4-cyclopropyl-6-[3-(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-6-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 74237104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).