6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione

C10H12F3N3O3 — CID 95549733

IUPAC6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCO[C@H](C(F)(F)F)C2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)7-5-16(1-2-19-7)4-6-3-8(17)15-9(18)14-6/h3,7H,1-2,4-5H2,(H2,14,15,17,18)/t7-/m0/s1
InChIKeyYVXPJINGGDYVQE-ZETCQYMHSA-N
MW279.22 g/mol
LogP-0.17
Rot. Bonds2

About 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 95549733) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID95549733
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCO[C@H](C(F)(F)F)C2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)7-5-16(1-2-19-7)4-6-3-8(17)15-9(18)14-6/h3,7H,1-2,4-5H2,(H2,14,15,17,18)/t7-/m0/s1
InChIKeyYVXPJINGGDYVQE-ZETCQYMHSA-N
XLogP-0.17
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 56862557
6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 122560295
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 56881232
4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
CID 56869028
ethane;4-ethyl-2-(trifluoromethyl)morpholine
CID 178155697
6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 10661952
4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56871312
6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 38997261
(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95502324
(2S)-4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95870603
5-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95524862

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione (CID 95549733) is 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione is O=c1cc(CN2CCO[C@H](C(F)(F)F)C2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YVXPJINGGDYVQE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)7-5-16(1-2-19-7)4-6-3-8(17)15-9(18)14-6/h3,7H,1-2,4-5H2,(H2,14,15,17,18)/t7-/m0/s1.
What are the key properties of 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 279.22 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95549733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).