4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine

C14H12ClF3N2O — CID 61000690

IUPAC4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
SMILESCCc1c(C)nc(-c2ccccc2OC(F)(F)F)nc1Cl
InChIInChI=1S/C14H12ClF3N2O/c1-3-9-8(2)19-13(20-12(9)15)10-6-4-5-7-11(10)21-14(16,17)18/h4-7H,3H2,1-2H3
InChIKeyNFSLWRXRZZTPPK-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.57
Rot. Bonds3

About 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine

4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 61000690) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID61000690
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
SMILESCCc1c(C)nc(-c2ccccc2OC(F)(F)F)nc1Cl
InChIInChI=1S/C14H12ClF3N2O/c1-3-9-8(2)19-13(20-12(9)15)10-6-4-5-7-11(10)21-14(16,17)18/h4-7H,3H2,1-2H3
InChIKeyNFSLWRXRZZTPPK-UHFFFAOYSA-N
XLogP4.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996623
5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62204241
[5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
CID 62251303
5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 54883856
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
CID 62250732
8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 152915400
6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202462
4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
CID 63985246
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
2,4-dimethyl-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 119020699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine (CID 61000690) is 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine is CCc1c(C)nc(-c2ccccc2OC(F)(F)F)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is NFSLWRXRZZTPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-3-9-8(2)19-13(20-12(9)15)10-6-4-5-7-11(10)21-14(16,17)18/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine?
4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 316.71 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 61000690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).