5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine

C12H9F3N2 — CID 19818152

IUPAC5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESCCc1cnc(-c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C12H9F3N2/c1-2-7-5-16-12(17-6-7)8-3-9(13)11(15)10(14)4-8/h3-6H,2H2,1H3
InChIKeyANTDMNZBQBPDCV-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.12
Rot. Bonds2

About 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine

5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine (PubChem CID 19818152) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine
PubChem CID19818152
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESCCc1cnc(-c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C12H9F3N2/c1-2-7-5-16-12(17-6-7)8-3-9(13)11(15)10(14)4-8/h3-6H,2H2,1H3
InChIKeyANTDMNZBQBPDCV-UHFFFAOYSA-N
XLogP3.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-(Phenylethynyl)pyrimidine
CID 4074142
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
5-{[(1E)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyrimidine
CID 6539805
(5-Pyrimidylmethylene)indane 28b
CID 6539808
2-(Phenylethynyl)pyrimidine
CID 12490583
2-(m-Tolylethynyl)pyrimidine
CID 44190040
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine?
The IUPAC name of 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine (CID 19818152) is 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine.
What is the SMILES notation for 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine?
The canonical SMILES for 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine is CCc1cnc(-c2cc(F)c(F)c(F)c2)nc1.
What is the InChIKey of 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine?
The InChIKey is ANTDMNZBQBPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c1-2-7-5-16-12(17-6-7)8-3-9(13)11(15)10(14)4-8/h3-6H,2H2,1H3.
What are the key properties of 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine?
5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine has a molecular weight of 238.21 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine is sourced from PubChem (CID 19818152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).