4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine

C8H9F3N2O — CID 122534089

IUPAC4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1cc(C)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-5-3-6(2)13-7(12-5)14-4-8(9,10)11/h3H,4H2,1-2H3
InChIKeyOKXXGRDHTOBFAR-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.03
Rot. Bonds2

About 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine

4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 122534089) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID122534089
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1cc(C)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-5-3-6(2)13-7(12-5)14-4-8(9,10)11/h3H,4H2,1-2H3
InChIKeyOKXXGRDHTOBFAR-UHFFFAOYSA-N
XLogP2.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]carbamate
CID 171787096
4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 839789
CID 176572560
CID 176572560
4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 174764945
2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859442
2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
CID 61146447
2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine
CID 62203397
4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 162601130
4-methyl-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 88586086
4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 90379560
1-N,2-N-bis[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]benzene-1,2-diamine
CID 2826886
3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine
CID 113491586

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine (CID 122534089) is 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine is Cc1cc(C)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is OKXXGRDHTOBFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-3-6(2)13-7(12-5)14-4-8(9,10)11/h3H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine?
4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 122534089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).