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

C13H10ClF3N2 — CID 12056714

IUPAC2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESCc1cnc(Cl)nc1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10ClF3N2/c1-8-7-18-12(14)19-11(8)6-9-3-2-4-10(5-9)13(15,16)17/h2-5,7H,6H2,1H3
InChIKeyJJXBAYDNEICIIX-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.05
Rot. Bonds2

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

2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (PubChem CID 12056714) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
PubChem CID12056714
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESCc1cnc(Cl)nc1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10ClF3N2/c1-8-7-18-12(14)19-11(8)6-9-3-2-4-10(5-9)13(15,16)17/h2-5,7H,6H2,1H3
InChIKeyJJXBAYDNEICIIX-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-tert-butylphenyl)methyl]-2-chloro-5-methylpyrimidine
CID 152896608
2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine
CID 133188343
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
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
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine
CID 153204005
2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylic acid
CID 149120957
5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66292577
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
1-(5-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 123357210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (CID 12056714) is 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is Cc1cnc(Cl)nc1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The InChIKey is JJXBAYDNEICIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c1-8-7-18-12(14)19-11(8)6-9-3-2-4-10(5-9)13(15,16)17/h2-5,7H,6H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine has a molecular weight of 286.68 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is sourced from PubChem (CID 12056714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).