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

C12H8ClF3N2O — CID 43557805

IUPAC4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1cc(Cl)nc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H8ClF3N2O/c1-7-6-10(13)18-11(17-7)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3
InChIKeyHCWNFNKHDTWKPA-UHFFFAOYSA-N
MW288.66 g/mol
LogP4.00
Rot. Bonds2

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

4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 43557805) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID43557805
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1cc(Cl)nc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H8ClF3N2O/c1-7-6-10(13)18-11(17-7)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3
InChIKeyHCWNFNKHDTWKPA-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-fluorophenyl)-6-methylpyrimidine
CID 23362081
2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 130089695
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 116629481
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828
2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2781881
2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine
CID 118809583
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 22229305
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine
CID 175904375

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine (CID 43557805) is 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine is Cc1cc(Cl)nc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is HCWNFNKHDTWKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c1-7-6-10(13)18-11(17-7)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3.
What are the key properties of 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 288.66 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 43557805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).