2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine

C6H4ClF3N2O — CID 19100561

IUPAC2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C6H4ClF3N2O/c1-13-4-2-3(6(8,9)10)11-5(7)12-4/h2H,1H3
InChIKeyCBJNQGZYEYYRMP-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.16
Rot. Bonds1

About 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine

2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 19100561) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
PubChem CID19100561
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C6H4ClF3N2O/c1-13-4-2-3(6(8,9)10)11-5(7)12-4/h2H,1H3
InChIKeyCBJNQGZYEYYRMP-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydrazinyl-4-methoxy-6-methylpyrimidine
CID 870741
2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
4-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-heptyloxy)-6-methyl-pyrimidin-2-ylamine
CID 3109471
4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248064
4-Methoxy-6-methylpyrimidine
CID 11959085
2,4-Diethoxy-6-methylpyrimidine
CID 260112
2-Chloro-4-methoxy-6-methylpyrimidine
CID 12490571
2-(2-Amino-6-methylpyrimidin-4-yl)oxyacetonitrile
CID 3158769
4-Methoxy-2,6-dimethylpyrimidine
CID 12387338
N,N-diethyl-4-methoxy-6-methylpyrimidin-2-amine
CID 13789821

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine (CID 19100561) is 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine is COc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is CBJNQGZYEYYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c1-13-4-2-3(6(8,9)10)11-5(7)12-4/h2H,1H3.
What are the key properties of 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine?
2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 212.56 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19100561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).