3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

C10H12F3N3O — CID 110246160

IUPAC3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cc(C(F)(F)F)nc(C2COCCN2)n1
InChIInChI=1S/C10H12F3N3O/c1-6-4-8(10(11,12)13)16-9(15-6)7-5-17-3-2-14-7/h4,7,14H,2-3,5H2,1H3
InChIKeyBAPWTKULDQYSML-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds1

About 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 110246160) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID110246160
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cc(C(F)(F)F)nc(C2COCCN2)n1
InChIInChI=1S/C10H12F3N3O/c1-6-4-8(10(11,12)13)16-9(15-6)7-5-17-3-2-14-7/h4,7,14H,2-3,5H2,1H3
InChIKeyBAPWTKULDQYSML-UHFFFAOYSA-N
XLogP1.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 110246160) is 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is Cc1cc(C(F)(F)F)nc(C2COCCN2)n1.
What is the InChIKey of 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is BAPWTKULDQYSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-4-8(10(11,12)13)16-9(15-6)7-5-17-3-2-14-7/h4,7,14H,2-3,5H2,1H3.
What are the key properties of 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 247.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 110246160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).