3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide

C19H21F3N4O5 — CID 70833572

IUPAC3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1cc(=O)n(CCN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C19H21F3N4O5/c20-19(21,22)31-15-4-2-1-3-13(15)12-23-17(28)14-11-16(27)26(18(29)24-14)6-5-25-7-9-30-10-8-25/h1-4,11H,5-10,12H2,(H,23,28)(H,24,29)
InChIKeyIAYHPOMXQGRSJM-UHFFFAOYSA-N
MW442.39 g/mol
LogP0.70
Rot. Bonds7

About 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide

3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide (PubChem CID 70833572) has the molecular formula C19H21F3N4O5 and a molecular weight of 442.39 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
PubChem CID70833572
Molecular FormulaC19H21F3N4O5
Molecular Weight442.39 g/mol
Exact Mass442.15
IUPAC Name3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1cc(=O)n(CCN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C19H21F3N4O5/c20-19(21,22)31-15-4-2-1-3-13(15)12-23-17(28)14-11-16(27)26(18(29)24-14)6-5-25-7-9-30-10-8-25/h1-4,11H,5-10,12H2,(H,23,28)(H,24,29)
InChIKeyIAYHPOMXQGRSJM-UHFFFAOYSA-N
XLogP0.70
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 70833574
4-[[(3-benzyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-3-(trifluoromethoxy)benzoic acid
CID 68757817
5-[4-[[(3-benzyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 68798913
3-benzyl-2,4-dioxo-N-[[4-(1-phenylethylcarbamoyl)-2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 91358570
3-benzyl-N-[[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(trifluoromethoxy)phenyl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 89012755
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 68787934
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
N-[[2-(trifluoromethoxy)phenyl]methyl]morpholin-4-amine
CID 83009114
3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121025333
5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 118112508
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide (CID 70833572) is 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)c1cc(=O)n(CCN2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is IAYHPOMXQGRSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O5/c20-19(21,22)31-15-4-2-1-3-13(15)12-23-17(28)14-11-16(27)26(18(29)24-14)6-5-25-7-9-30-10-8-25/h1-4,11H,5-10,12H2,(H,23,28)(H,24,29).
What are the key properties of 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide?
3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 442.39 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 70833572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).