5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

C22H19F3N6O2S — CID 24740190

IUPAC5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(Nc2cncnc2)c1
InChIInChI=1S/C22H19F3N6O2S/c1-21(2)19(32)31(16-3-5-17(6-4-16)34-22(23,24)25)20(33)30(21)12-14-7-8-28-18(9-14)29-15-10-26-13-27-11-15/h3-11,13H,12H2,1-2H3,(H,28,29)
InChIKeyQWZNVDHKFZNRPV-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.97
Rot. Bonds6

About 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (PubChem CID 24740190) has the molecular formula C22H19F3N6O2S and a molecular weight of 488.50 g/mol. Its IUPAC name is 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
PubChem CID24740190
Molecular FormulaC22H19F3N6O2S
Molecular Weight488.50 g/mol
Exact Mass488.12
IUPAC Name5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(Nc2cncnc2)c1
InChIInChI=1S/C22H19F3N6O2S/c1-21(2)19(32)31(16-3-5-17(6-4-16)34-22(23,24)25)20(33)30(21)12-14-7-8-28-18(9-14)29-15-10-26-13-27-11-15/h3-11,13H,12H2,1-2H3,(H,28,29)
InChIKeyQWZNVDHKFZNRPV-UHFFFAOYSA-N
XLogP4.97
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (CID 24740190) is 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(Nc2cncnc2)c1.
What is the InChIKey of 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is QWZNVDHKFZNRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2S/c1-21(2)19(32)31(16-3-5-17(6-4-16)34-22(23,24)25)20(33)30(21)12-14-7-8-28-18(9-14)29-15-10-26-13-27-11-15/h3-11,13H,12H2,1-2H3,(H,28,29).
What are the key properties of 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 488.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24740190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).