4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine

C13H18F3N3O — CID 56861593

IUPAC4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
SMILESCc1nc(C(C)C)cc(N2CCOC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H18F3N3O/c1-8(2)10-6-12(18-9(3)17-10)19-4-5-20-11(7-19)13(14,15)16/h6,8,11H,4-5,7H2,1-3H3
InChIKeyOPCADPMNSZNYID-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.68
Rot. Bonds2

About 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine

4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56861593) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
PubChem CID56861593
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
SMILESCc1nc(C(C)C)cc(N2CCOC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H18F3N3O/c1-8(2)10-6-12(18-9(3)17-10)19-4-5-20-11(7-19)13(14,15)16/h6,8,11H,4-5,7H2,1-3H3
InChIKeyOPCADPMNSZNYID-UHFFFAOYSA-N
XLogP2.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine (CID 56861593) is 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine is Cc1nc(C(C)C)cc(N2CCOC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is OPCADPMNSZNYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(2)10-6-12(18-9(3)17-10)19-4-5-20-11(7-19)13(14,15)16/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 289.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56861593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).