4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one

C24H24F3N7O2 — CID 59507924

IUPAC4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C(=O)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H24F3N7O2/c25-24(26,27)18-12-20(28)29-14-17(18)19-13-21(31-23(30-19)32-8-10-36-11-9-32)33-6-7-34(22(35)15-33)16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2,(H2,28,29)
InChIKeyVIOPNPRVYGYSPI-UHFFFAOYSA-N
MW499.50 g/mol
LogP2.83
Rot. Bonds4

About 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one

4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one (PubChem CID 59507924) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one
PubChem CID59507924
Molecular FormulaC24H24F3N7O2
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC Name4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C(=O)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H24F3N7O2/c25-24(26,27)18-12-20(28)29-14-17(18)19-13-21(31-23(30-19)32-8-10-36-11-9-32)33-6-7-34(22(35)15-33)16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2,(H2,28,29)
InChIKeyVIOPNPRVYGYSPI-UHFFFAOYSA-N
XLogP2.83
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one with MolForge

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Related Compounds

Buparlisib
CID 16654980
Bimiralisib
CID 58507717
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415637
(4R)-4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145954559
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
CID 156587340
4-[6-[(4,4-Dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587341
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46884549

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one (CID 59507924) is 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one is Nc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C(=O)C3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one?
The InChIKey is VIOPNPRVYGYSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2/c25-24(26,27)18-12-20(28)29-14-17(18)19-13-21(31-23(30-19)32-8-10-36-11-9-32)33-6-7-34(22(35)15-33)16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2,(H2,28,29).
What are the key properties of 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one?
4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one has a molecular weight of 499.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 59507924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).