5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine

C14H11BrClF3N2 — CID 66292396

IUPAC5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)c1nc(-c2cccc(C(F)(F)F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H11BrClF3N2/c1-7(2)11-10(15)12(16)21-13(20-11)8-4-3-5-9(6-8)14(17,18)19/h3-7H,1-2H3
InChIKeyATZQDWNNCXFKNT-UHFFFAOYSA-N
MW379.61 g/mol
LogP5.70
Rot. Bonds2

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

5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 66292396) has the molecular formula C14H11BrClF3N2 and a molecular weight of 379.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID66292396
Molecular FormulaC14H11BrClF3N2
Molecular Weight379.61 g/mol
Exact Mass377.97
IUPAC Name5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)c1nc(-c2cccc(C(F)(F)F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H11BrClF3N2/c1-7(2)11-10(15)12(16)21-13(20-11)8-4-3-5-9(6-8)14(17,18)19/h3-7H,1-2H3
InChIKeyATZQDWNNCXFKNT-UHFFFAOYSA-N
XLogP5.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.61
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 63405676
N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62190938
2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468773
6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62192267
(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine
CID 94902136
(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66264287
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66296589
1-chloro-8-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117252517
2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468661
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
CID 115527508
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 66292396) is 5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine is CC(C)c1nc(-c2cccc(C(F)(F)F)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is ATZQDWNNCXFKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF3N2/c1-7(2)11-10(15)12(16)21-13(20-11)8-4-3-5-9(6-8)14(17,18)19/h3-7H,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
5-bromo-4-chloro-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 379.61 g/mol, XLogP of 5.70, 2 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-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 66292396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).