1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one

C20H18F3N7O — CID 130469687

IUPAC1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
SMILESCC(Nc1nccc(N2CCNC2=O)n1)c1ccc(-c2ccnc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H18F3N7O/c1-12(28-18-25-7-5-17(29-18)30-9-8-26-19(30)31)15-3-2-14(11-27-15)13-4-6-24-16(10-13)20(21,22)23/h2-7,10-12H,8-9H2,1H3,(H,26,31)(H,25,28,29)
InChIKeyMEZBCZNCZJLBPN-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one

1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 130469687) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
PubChem CID130469687
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
SMILESCC(Nc1nccc(N2CCNC2=O)n1)c1ccc(-c2ccnc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H18F3N7O/c1-12(28-18-25-7-5-17(29-18)30-9-8-26-19(30)31)15-3-2-14(11-27-15)13-4-6-24-16(10-13)20(21,22)23/h2-7,10-12H,8-9H2,1H3,(H,26,31)(H,25,28,29)
InChIKeyMEZBCZNCZJLBPN-UHFFFAOYSA-N
XLogP3.66
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[2-[[(1S)-1-[3-fluoro-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90414764
1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one
CID 130469759
1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane
CID 145372276
(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414317
(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90452104
1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
CID 18342791
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 130284604
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285255
(4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960836
1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane
CID 145372237

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one (CID 130469687) is 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one is CC(Nc1nccc(N2CCNC2=O)n1)c1ccc(-c2ccnc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one?
The InChIKey is MEZBCZNCZJLBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-12(28-18-25-7-5-17(29-18)30-9-8-26-19(30)31)15-3-2-14(11-27-15)13-4-6-24-16(10-13)20(21,22)23/h2-7,10-12H,8-9H2,1H3,(H,26,31)(H,25,28,29).
What are the key properties of 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one?
1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 429.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 130469687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).