4-methyl-6-(trifluoromethoxy)pyrimidine

C6H5F3N2O — CID 167503979

IUPAC4-methyl-6-(trifluoromethoxy)pyrimidine
SMILESCc1cc(OC(F)(F)F)ncn1
InChIInChI=1S/C6H5F3N2O/c1-4-2-5(11-3-10-4)12-6(7,8)9/h2-3H,1H3
InChIKeyHTKXZWSASVCNMP-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.68
Rot. Bonds1

About 4-methyl-6-(trifluoromethoxy)pyrimidine

4-methyl-6-(trifluoromethoxy)pyrimidine (PubChem CID 167503979) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethoxy)pyrimidine
PubChem CID167503979
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name4-methyl-6-(trifluoromethoxy)pyrimidine
SMILESCc1cc(OC(F)(F)F)ncn1
InChIInChI=1S/C6H5F3N2O/c1-4-2-5(11-3-10-4)12-6(7,8)9/h2-3H,1H3
InChIKeyHTKXZWSASVCNMP-UHFFFAOYSA-N
XLogP1.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine
CID 62348764
2,4-dimethyl-6-(trifluoromethoxy)pyridine
CID 130088944
ethane;4-methyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine
CID 176691029
(6-methylpyrimidin-4-yl) hydrogen carbonate
CID 67791604
4-(1,1-difluoroethyl)-6-methylpyrimidine
CID 121391476
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
2,5-bis(trifluoromethoxy)pyrazine
CID 119084225
(6-methylpyrimidin-4-yl) carbonochloridate
CID 83816428
2-methyl-1-(6-methylpyrimidin-4-yl)oxybutan-2-amine
CID 64571505
CID 175435599
CID 175435599
4-chloro-2-methyl-5-(trifluoromethoxy)pyridine
CID 70832767
2-methyl-3-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224160

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethoxy)pyrimidine?
The IUPAC name of 4-methyl-6-(trifluoromethoxy)pyrimidine (CID 167503979) is 4-methyl-6-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 4-methyl-6-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 4-methyl-6-(trifluoromethoxy)pyrimidine is Cc1cc(OC(F)(F)F)ncn1.
What is the InChIKey of 4-methyl-6-(trifluoromethoxy)pyrimidine?
The InChIKey is HTKXZWSASVCNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-4-2-5(11-3-10-4)12-6(7,8)9/h2-3H,1H3.
What are the key properties of 4-methyl-6-(trifluoromethoxy)pyrimidine?
4-methyl-6-(trifluoromethoxy)pyrimidine has a molecular weight of 178.11 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 167503979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).