morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone

C14H17F3N4O2 — CID 165434652

IUPACmorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2nccc(C(F)(F)F)n2)C1)N1CCOCC1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)11-1-3-18-13(19-11)21-4-2-10(9-21)12(22)20-5-7-23-8-6-20/h1,3,10H,2,4-9H2
InChIKeyOYINTVJRTUGGJE-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.18
Rot. Bonds2

About morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone

morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone (PubChem CID 165434652) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone
PubChem CID165434652
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Namemorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2nccc(C(F)(F)F)n2)C1)N1CCOCC1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)11-1-3-18-13(19-11)21-4-2-10(9-21)12(22)20-5-7-23-8-6-20/h1,3,10H,2,4-9H2
InChIKeyOYINTVJRTUGGJE-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanone
CID 165434721
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 163354691
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820
3,4-dihydro-1H-isoquinolin-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 36724245
oxan-4-yl-[(2R)-2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]azepan-1-yl]methanone
CID 95327965
[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 97239113
morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 72847566
pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 97153254
4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994408
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 72933635

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone (CID 165434652) is morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone is O=C(C1CCN(c2nccc(C(F)(F)F)n2)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone?
The InChIKey is OYINTVJRTUGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c15-14(16,17)11-1-3-18-13(19-11)21-4-2-10(9-21)12(22)20-5-7-23-8-6-20/h1,3,10H,2,4-9H2.
What are the key properties of morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone?
morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone has a molecular weight of 330.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165434652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).