(2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine

C16H14Cl2F3N3O2 — CID 174289380

IUPAC(2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@@H]1CN(c2ncc(OCc3c(Cl)cccc3Cl)cn2)CCO1
InChIInChI=1S/C16H14Cl2F3N3O2/c17-12-2-1-3-13(18)11(12)9-26-10-6-22-15(23-7-10)24-4-5-25-14(8-24)16(19,20)21/h1-3,6-7,14H,4-5,8-9H2/t14-/m0/s1
InChIKeyAMFCGTIKGFOYLE-AWEZNQCLSA-N
MW408.21 g/mol
LogP4.13
Rot. Bonds4

About (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine

(2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine (PubChem CID 174289380) has the molecular formula C16H14Cl2F3N3O2 and a molecular weight of 408.21 g/mol. Its IUPAC name is (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine
PubChem CID174289380
Molecular FormulaC16H14Cl2F3N3O2
Molecular Weight408.21 g/mol
Exact Mass407.04
IUPAC Name(2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@@H]1CN(c2ncc(OCc3c(Cl)cccc3Cl)cn2)CCO1
InChIInChI=1S/C16H14Cl2F3N3O2/c17-12-2-1-3-13(18)11(12)9-26-10-6-22-15(23-7-10)24-4-5-25-14(8-24)16(19,20)21/h1-3,6-7,14H,4-5,8-9H2/t14-/m0/s1
InChIKeyAMFCGTIKGFOYLE-AWEZNQCLSA-N
XLogP4.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,4-diazepane
CID 175982328
4-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazine-1-carboxamide
CID 170608664
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
(2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
CID 95445368
3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 170609039
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-1,2,4-triazole-3-carboxylic acid
CID 170609018
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-2-fluorophenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032572
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one
CID 175982314
2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine
CID 56881153
2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
CID 56868196
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine (CID 174289380) is (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine is FC(F)(F)[C@@H]1CN(c2ncc(OCc3c(Cl)cccc3Cl)cn2)CCO1.
What is the InChIKey of (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine?
The InChIKey is AMFCGTIKGFOYLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14Cl2F3N3O2/c17-12-2-1-3-13(18)11(12)9-26-10-6-22-15(23-7-10)24-4-5-25-14(8-24)16(19,20)21/h1-3,6-7,14H,4-5,8-9H2/t14-/m0/s1.
What are the key properties of (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine?
(2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine has a molecular weight of 408.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 174289380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).