4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine

C8H8ClF3N2 — CID 174269776

IUPAC4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCCc1c(Cl)nc(C)nc1C(F)(F)F
InChIInChI=1S/C8H8ClF3N2/c1-3-5-6(8(10,11)12)13-4(2)14-7(5)9/h3H2,1-2H3
InChIKeyYTKFOLFTRWZGPP-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.02
Rot. Bonds1

About 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine

4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 174269776) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID174269776
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCCc1c(Cl)nc(C)nc1C(F)(F)F
InChIInChI=1S/C8H8ClF3N2/c1-3-5-6(8(10,11)12)13-4(2)14-7(5)9/h3H2,1-2H3
InChIKeyYTKFOLFTRWZGPP-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-(2-chloroethyl)-6-methylpyrimidine
CID 600353
4-Chloro-5-ethyl-6-methylpyrimidin-2-amine
CID 676462
2-Chloro-4,5,6-trimethylpyrimidine
CID 12501987
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 351135
4-Chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 2736503
4-Chloro-2,5,6-trimethylpyrimidine
CID 12600391
4-Chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
4-Chloro-5-ethyl-6-methylpyrimidine
CID 61252025
4-Chloro-5-isopropyl-6-methylpyrimidine
CID 62915901
2,4-Dichloro-5-ethyl-6-methylpyrimidine
CID 89761070
2,4-Dichloro-6-methyl-5-(trifluoromethyl)pyrimidine
CID 155943940
Pyrimidine, 4,5-dichloro-6-(difluoromethyl)-2-methyl-
CID 97627678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine (CID 174269776) is 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine is CCc1c(Cl)nc(C)nc1C(F)(F)F.
What is the InChIKey of 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is YTKFOLFTRWZGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-3-5-6(8(10,11)12)13-4(2)14-7(5)9/h3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine?
4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 224.61 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 174269776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).