4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine

C14H19ClF3N3O — CID 177059880

IUPAC4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine
SMILESCCCC1(CC)CN(c2cc(Cl)nc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C14H19ClF3N3O/c1-3-5-13(4-2)9-21(6-7-22-13)11-8-10(15)19-12(20-11)14(16,17)18/h8H,3-7,9H2,1-2H3
InChIKeyQQGYUWWWINBIGH-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.93
Rot. Bonds4

About 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine (PubChem CID 177059880) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine.

Molecular Properties

Compound Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine
PubChem CID177059880
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine
SMILESCCCC1(CC)CN(c2cc(Cl)nc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C14H19ClF3N3O/c1-3-5-13(4-2)9-21(6-7-22-13)11-8-10(15)19-12(20-11)14(16,17)18/h8H,3-7,9H2,1-2H3
InChIKeyQQGYUWWWINBIGH-UHFFFAOYSA-N
XLogP3.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
CID 46738256
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 106766891
4-[4-Chloro-6-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]morpholine
CID 132008321
4-[4-Chloro-6-(3-fluoro-3-methylazetidin-1-yl)pyrimidin-2-yl]morpholine
CID 132025294
6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 139546900
4-[6-Chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine
CID 144739899
(2S)-4-[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-2-methylmorpholine
CID 144739983
(1S,4S)-5-[6-chloro-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.2]octane
CID 154931325
4-Chloro-6-fluoro-2-(1-methylpiperidin-3-yl)oxypyrimidine
CID 156105797
4-[6-Chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine
CID 162691506
(3S)-4-[6-chloro-2-(2,2-difluoro-3-methylcyclopropyl)pyrimidin-4-yl]-3-ethylmorpholine
CID 173758058
(2S)-4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]-2-ethylmorpholine
CID 173767728

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine?
The IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine (CID 177059880) is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine.
What is the SMILES notation for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine?
The canonical SMILES for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine is CCCC1(CC)CN(c2cc(Cl)nc(C(F)(F)F)n2)CCO1.
What is the InChIKey of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine?
The InChIKey is QQGYUWWWINBIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-3-5-13(4-2)9-21(6-7-22-13)11-8-10(15)19-12(20-11)14(16,17)18/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine?
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine has a molecular weight of 337.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-ethyl-2-propylmorpholine is sourced from PubChem (CID 177059880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).