5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid

C43H52F6N6O2 — CID 159655046

IUPAC5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid
SMILESCc1cc2c(cc1N(CC(F)(F)F)c1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cnc(N(CC(F)(F)F)c2ccc3c(c2)C(C)(C)CCC3(C)C)nc1
InChIInChI=1S/C22H26F3N3O2.C21H26F3N3/c1-13-8-15-16(21(4,5)7-6-20(15,2)3)9-17(13)28(12-22(23,24)25)19-26-10-14(11-27-19)18(29)30;1-14-11-25-18(26-12-14)27(13-21(22,23)24)15-6-7-16-17(10-15)20(4,5)9-8-19(16,2)3/h8-11H,6-7,12H2,1-5H3,(H,29,30);6-7,10-12H,8-9,13H2,1-5H3
InChIKeyMSBIXWSTMKGWIY-UHFFFAOYSA-N
MW798.92 g/mol
LogP11.37
Rot. Bonds7

About 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid

5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 159655046) has the molecular formula C43H52F6N6O2 and a molecular weight of 798.92 g/mol. Its IUPAC name is 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid
PubChem CID159655046
Molecular FormulaC43H52F6N6O2
Molecular Weight798.92 g/mol
Exact Mass798.41
IUPAC Name5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid
SMILESCc1cc2c(cc1N(CC(F)(F)F)c1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cnc(N(CC(F)(F)F)c2ccc3c(c2)C(C)(C)CCC3(C)C)nc1
InChIInChI=1S/C22H26F3N3O2.C21H26F3N3/c1-13-8-15-16(21(4,5)7-6-20(15,2)3)9-17(13)28(12-22(23,24)25)19-26-10-14(11-27-19)18(29)30;1-14-11-25-18(26-12-14)27(13-21(22,23)24)15-6-7-16-17(10-15)20(4,5)9-8-19(16,2)3/h8-11H,6-7,12H2,1-5H3,(H,29,30);6-7,10-12H,8-9,13H2,1-5H3
InChIKeyMSBIXWSTMKGWIY-UHFFFAOYSA-N
XLogP11.37
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.92
LogP ≤ 511.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid (CID 159655046) is 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid is Cc1cc2c(cc1N(CC(F)(F)F)c1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cnc(N(CC(F)(F)F)c2ccc3c(c2)C(C)(C)CCC3(C)C)nc1.
What is the InChIKey of 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is MSBIXWSTMKGWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2.C21H26F3N3/c1-13-8-15-16(21(4,5)7-6-20(15,2)3)9-17(13)28(12-22(23,24)25)19-26-10-14(11-27-19)18(29)30;1-14-11-25-18(26-12-14)27(13-21(22,23)24)15-6-7-16-17(10-15)20(4,5)9-8-19(16,2)3/h8-11H,6-7,12H2,1-5H3,(H,29,30);6-7,10-12H,8-9,13H2,1-5H3.
What are the key properties of 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid?
5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 798.92 g/mol, XLogP of 11.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 159655046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).