5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

C19H21F3N6O4S — CID 10413120

IUPAC5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)N1CCOC(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)C1
InChIInChI=1S/C19H21F3N6O4S/c1-33(30,31)28-4-5-32-13(10-28)8-23-17-14(19(20,21)22)9-24-18(27-17)25-12-2-3-15-11(6-12)7-16(29)26-15/h2-3,6,9,13H,4-5,7-8,10H2,1H3,(H,26,29)(H2,23,24,25,27)
InChIKeySYJOVGNUGRODDU-UHFFFAOYSA-N
MW486.48 g/mol
LogP1.81
Rot. Bonds6

About 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 10413120) has the molecular formula C19H21F3N6O4S and a molecular weight of 486.48 g/mol. Its IUPAC name is 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID10413120
Molecular FormulaC19H21F3N6O4S
Molecular Weight486.48 g/mol
Exact Mass486.13
IUPAC Name5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)N1CCOC(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)C1
InChIInChI=1S/C19H21F3N6O4S/c1-33(30,31)28-4-5-32-13(10-28)8-23-17-14(19(20,21)22)9-24-18(27-17)25-12-2-3-15-11(6-12)7-16(29)26-15/h2-3,6,9,13H,4-5,7-8,10H2,1H3,(H,26,29)(H2,23,24,25,27)
InChIKeySYJOVGNUGRODDU-UHFFFAOYSA-N
XLogP1.81
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[4-[(4-propan-2-ylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 68534075
N-[[4-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methyl]ethanesulfonamide
CID 69342854
2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonic acid
CID 11697374
5-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]pentane-2-sulfonamide
CID 161242905
6-[[4-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 69346217
5-[[4-[[2-hydroxy-2-(1-methylsulfonylpiperidin-2-yl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 10391756
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrimidin-4-yl]methanesulfonamide
CID 11996298
N-methyl-N-[3-[methyl(methylsulfonyl)amino]-5-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 11996007
N-[3-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]propane-2-sulfonamide
CID 172818265
N-methyl-N-[3-methyl-5-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4-pyridinyl]methanesulfonamide
CID 11692139
N-methyl-N-[4-methyl-3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 11577243
1-amino-1-oxo-3-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propane-2-sulfonic acid
CID 141256901

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 10413120) is 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is CS(=O)(=O)N1CCOC(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)C1.
What is the InChIKey of 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is SYJOVGNUGRODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O4S/c1-33(30,31)28-4-5-32-13(10-28)8-23-17-14(19(20,21)22)9-24-18(27-17)25-12-2-3-15-11(6-12)7-16(29)26-15/h2-3,6,9,13H,4-5,7-8,10H2,1H3,(H,26,29)(H2,23,24,25,27).
What are the key properties of 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 486.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-methylsulfonylmorpholin-2-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10413120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).