5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione

C17H18F3N3O3 — CID 95563019

IUPAC5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CN2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c(=O)[nH]1
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)13-3-1-2-11(6-13)7-14-10-23(4-5-26-14)9-12-8-21-16(25)22-15(12)24/h1-3,6,8,14H,4-5,7,9-10H2,(H2,21,22,24,25)/t14-/m1/s1
InChIKeyHXLJIPUXVLASPB-CQSZACIVSA-N
MW369.34 g/mol
LogP1.53
Rot. Bonds4

About 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione

5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 95563019) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID95563019
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CN2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c(=O)[nH]1
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)13-3-1-2-11(6-13)7-14-10-23(4-5-26-14)9-12-8-21-16(25)22-15(12)24/h1-3,6,8,14H,4-5,7,9-10H2,(H2,21,22,24,25)/t14-/m1/s1
InChIKeyHXLJIPUXVLASPB-CQSZACIVSA-N
XLogP1.53
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 45212990
(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
CID 28732920
5-[[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95455940
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 95554052
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56918384
3-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 56875111
5-[[(3S)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95221204
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95549014
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 26408379

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione (CID 95563019) is 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CN2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c(=O)[nH]1.
What is the InChIKey of 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HXLJIPUXVLASPB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)13-3-1-2-11(6-13)7-14-10-23(4-5-26-14)9-12-8-21-16(25)22-15(12)24/h1-3,6,8,14H,4-5,7,9-10H2,(H2,21,22,24,25)/t14-/m1/s1.
What are the key properties of 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 369.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95563019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).