4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine

C10H10F6N2O2 — CID 123237567

IUPAC4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H10F6N2O2/c1-2-6-3-7(19-4-9(11,12)13)18-8(17-6)20-5-10(14,15)16/h3H,2,4-5H2,1H3
InChIKeyZRSMVCREQFFCMD-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.92
Rot. Bonds5

About 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine

4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 123237567) has the molecular formula C10H10F6N2O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID123237567
Molecular FormulaC10H10F6N2O2
Molecular Weight304.19 g/mol
Exact Mass304.06
IUPAC Name4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H10F6N2O2/c1-2-6-3-7(19-4-9(11,12)13)18-8(17-6)20-5-10(14,15)16/h3H,2,4-5H2,1H3
InChIKeyZRSMVCREQFFCMD-UHFFFAOYSA-N
XLogP2.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
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
2,4-Diethoxy-6-methylpyrimidine
CID 260112
2,4-Diisobutoxy-6-(3-methyl-butyl)-pyrimidine
CID 25128805
2,4-Dimethyl-6-ethoxypyrimidine
CID 12318269
2,4-Dimethoxy-6-(trifluoromethyl)pyrimidine
CID 21732779
4-Isopropoxy-6-methylpyrimidin-2-amine
CID 580558
4-[6-(Heptafluoropropyl)-2-(methylsulfanyl)-pyrimidin-4-yloxy]butyl acetate
CID 133064146
4-(Heptafluoropropyl)-6-methoxy-2-(methylsulfanyl)pyrimidine
CID 138756379
4-(Fluoromethoxy)-6-propan-2-ylpyrimidine
CID 177852945
4-Ethoxy-6-ethylpyrimidin-2-amine
CID 119085413

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine (CID 123237567) is 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine is CCc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is ZRSMVCREQFFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O2/c1-2-6-3-7(19-4-9(11,12)13)18-8(17-6)20-5-10(14,15)16/h3H,2,4-5H2,1H3.
What are the key properties of 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 304.19 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 123237567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).