ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine

C11H19F3N2O — CID 143819322

IUPACethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine
SMILESCC.CC.COc1ncnc(C)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O.2C2H6/c1-4-5(7(8,9)10)6(13-2)12-3-11-4;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyHNHLRUUIMZBKTK-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.86
Rot. Bonds1

About ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine

ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine (PubChem CID 143819322) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Nameethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine
PubChem CID143819322
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Nameethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine
SMILESCC.CC.COc1ncnc(C)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O.2C2H6/c1-4-5(7(8,9)10)6(13-2)12-3-11-4;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyHNHLRUUIMZBKTK-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine (CID 143819322) is ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine is CC.CC.COc1ncnc(C)c1C(F)(F)F.
What is the InChIKey of ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is HNHLRUUIMZBKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O.2C2H6/c1-4-5(7(8,9)10)6(13-2)12-3-11-4;2*1-2/h3H,1-2H3;2*1-2H3.
What are the key properties of ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine?
ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 252.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 143819322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).