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

C13H15F6N3O — CID 56880225

IUPAC4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESCC(C)c1cc(N2CCOC(C(F)(F)F)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H15F6N3O/c1-7(2)8-5-10(21-11(20-8)13(17,18)19)22-3-4-23-9(6-22)12(14,15)16/h5,7,9H,3-4,6H2,1-2H3
InChIKeyBFDXMDGPYDPQOS-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.39
Rot. Bonds2

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

4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine (PubChem CID 56880225) has the molecular formula C13H15F6N3O and a molecular weight of 343.27 g/mol. Its IUPAC name is 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
PubChem CID56880225
Molecular FormulaC13H15F6N3O
Molecular Weight343.27 g/mol
Exact Mass343.11
IUPAC Name4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESCC(C)c1cc(N2CCOC(C(F)(F)F)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H15F6N3O/c1-7(2)8-5-10(21-11(20-8)13(17,18)19)22-3-4-23-9(6-22)12(14,15)16/h5,7,9H,3-4,6H2,1-2H3
InChIKeyBFDXMDGPYDPQOS-UHFFFAOYSA-N
XLogP3.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Isopropyl-6-methyl-4-pyrimidinyl)morpholine
CID 3306908
4-(4,6-Dimethylpyrimidin-2-yl)morpholine
CID 676802
4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-2,6-dimethylmorpholine
CID 4317583
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
N-(tert-butyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50977646
(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
N-(2-Isopropoxyethyl)-1-(2-methyl-6-propylpyrimidin-4-YL)piperidin-4-amine
CID 72854593
4-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 4141377
3-[(6-Isopropyl-2-methylpyrimidin-4-yl)(methyl)amino]propane-1,2-diol
CID 50981651
(3R*,4R*)-1-[6-isopropyl-2-(trifluoromethyl)-4-pyrimidinyl]-4-(4-morpholinyl)-3-piperidinol
CID 56863061
(3S*,4R*)-1-(6-isopropyl-2-methylpyrimidin-4-yl)-3-methoxypiperidin-4-amine
CID 56878500
4-{2-Methyl-6-[1-(4-methyl-3-penten-1-yl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 56904542

Frequently Asked Questions

What is the IUPAC name of 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine (CID 56880225) is 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine is CC(C)c1cc(N2CCOC(C(F)(F)F)C2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The InChIKey is BFDXMDGPYDPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N3O/c1-7(2)8-5-10(21-11(20-8)13(17,18)19)22-3-4-23-9(6-22)12(14,15)16/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine has a molecular weight of 343.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56880225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).