5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine

C14H11BrClF3N2 — CID 66292577

IUPAC5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESCCc1nc(Cc2cccc(C(F)(F)F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H11BrClF3N2/c1-2-10-12(15)13(16)21-11(20-10)7-8-4-3-5-9(6-8)14(17,18)19/h3-6H,2,7H2,1H3
InChIKeyNJUPQROKQFLIOA-UHFFFAOYSA-N
MW379.61 g/mol
LogP5.06
Rot. Bonds3

About 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine

5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (PubChem CID 66292577) has the molecular formula C14H11BrClF3N2 and a molecular weight of 379.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
PubChem CID66292577
Molecular FormulaC14H11BrClF3N2
Molecular Weight379.61 g/mol
Exact Mass377.97
IUPAC Name5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESCCc1nc(Cc2cccc(C(F)(F)F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H11BrClF3N2/c1-2-10-12(15)13(16)21-11(20-10)7-8-4-3-5-9(6-8)14(17,18)19/h3-6H,2,7H2,1H3
InChIKeyNJUPQROKQFLIOA-UHFFFAOYSA-N
XLogP5.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.61
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 163606669
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 12056714
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 66298662
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (CID 66292577) is 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is CCc1nc(Cc2cccc(C(F)(F)F)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The InChIKey is NJUPQROKQFLIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF3N2/c1-2-10-12(15)13(16)21-11(20-10)7-8-4-3-5-9(6-8)14(17,18)19/h3-6H,2,7H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine has a molecular weight of 379.61 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is sourced from PubChem (CID 66292577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).