2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide

C20H23F3N6O3 — CID 77105180

IUPAC2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILES[2H]C([2H])([2H])C(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H23F3N6O3/c1-13(30)25-16-10-15(20(21,22)23)14(12-24-16)19-26-17(28-2-6-31-7-3-28)11-18(27-19)29-4-8-32-9-5-29/h10-12H,2-9H2,1H3,(H,24,25,30)/i1D3
InChIKeyXZKRMUJJMBQGNC-FIBGUPNXSA-N
MW455.46 g/mol
LogP2.19
Rot. Bonds5

About 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide

2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 77105180) has the molecular formula C20H23F3N6O3 and a molecular weight of 455.46 g/mol. Its IUPAC name is 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID77105180
Molecular FormulaC20H23F3N6O3
Molecular Weight455.46 g/mol
Exact Mass455.20
IUPAC Name2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILES[2H]C([2H])([2H])C(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H23F3N6O3/c1-13(30)25-16-10-15(20(21,22)23)14(12-24-16)19-26-17(28-2-6-31-7-3-28)11-18(27-19)29-4-8-32-9-5-29/h10-12H,2-9H2,1H3,(H,24,25,30)/i1D3
InChIKeyXZKRMUJJMBQGNC-FIBGUPNXSA-N
XLogP2.19
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[2-[[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl]icosa-5,8,11,14,17-pentaenamide
CID 123997428
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 58508127
ethyl N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamate
CID 118084846
1-ethyl-3-[5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]urea
CID 146606137
1-methyl-3-[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]urea
CID 162666109
4-[[2-[6-(methoxycarbonylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidine-1-carboxylic acid
CID 175492383
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide
CID 175990946
N-[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
CID 162645185
N'-[[3-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]methyl]-N-methylethane-1,2-diamine
CID 146171721
5-[4-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508292
2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide
CID 167761647

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 77105180) is 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is [2H]C([2H])([2H])C(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is XZKRMUJJMBQGNC-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H23F3N6O3/c1-13(30)25-16-10-15(20(21,22)23)14(12-24-16)19-26-17(28-2-6-31-7-3-28)11-18(27-19)29-4-8-32-9-5-29/h10-12H,2-9H2,1H3,(H,24,25,30)/i1D3.
What are the key properties of 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 455.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 77105180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).