2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

C86H116ClN11O8 — CID 158174217

About 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 158174217) has the molecular formula C86H116ClN11O8 and a molecular weight of 1467.40 g/mol. Its IUPAC name is 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

• Compound Name: 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
• PubChem CID: 158174217
• Molecular Formula: C86H116ClN11O8
• Molecular Weight: 1467.40 g/mol
• Exact Mass: 1465.87
• IUPAC Name: 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
• SMILES: C.C.CC1(C)CCC(C)(C)c2cc(N)ccc21.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(C(=O)O)cn1.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(C(=O)OC)cn1.COC(=O)c1cnc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1.COC(=O)c1cnc(Cl)nc1
• InChI: InChI=1S/C22H29N3O2.C21H27N3O2.C21H26N2O2.C14H21N.C6H5ClN2O2.2CH4/c1-7-25(20-23-13-15(14-24-20)19(26)27-6)16-8-9-17-18(12-16)22(4,5)11-10-21(17,2)3;1-6-24(19-22-12-14(13-23-19)18(25)26)15-7-8-16-17(11-15)21(4,5)10-9-20(16,2)3;1-20(2)8-9-21(3,4)17-10-14(6-7-16(17)20)11-18-22-12-15(13-23-18)19(24)25-5;1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13;1-11-5(10)4-2-8-6(7)9-3-4;;/h8-9,12-14H,7,10-11H2,1-6H3;7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);6-7,10,12-13H,8-9,11H2,1-5H3;5-6,9H,7-8,15H2,1-4H3;2-3H,1H3;2*1H4
• InChIKey: FXUSFDGNCIXDTH-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 251.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.40
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?

The IUPAC name of 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (CID 158174217) is 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

What is the SMILES notation for 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?

The canonical SMILES for 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is C.C.CC1(C)CCC(C)(C)c2cc(N)ccc21.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(C(=O)O)cn1.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(C(=O)OC)cn1.COC(=O)c1cnc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1.COC(=O)c1cnc(Cl)nc1.

What is the InChIKey of 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?

The InChIKey is FXUSFDGNCIXDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C21H27N3O2.C21H26N2O2.C14H21N.C6H5ClN2O2.2CH4/c1-7-25(20-23-13-15(14-24-20)19(26)27-6)16-8-9-17-18(12-16)22(4,5)11-10-21(17,2)3;1-6-24(19-22-12-14(13-23-19)18(25)26)15-7-8-16-17(11-15)21(4,5)10-9-20(16,2)3;1-20(2)8-9-21(3,4)17-10-14(6-7-16(17)20)11-18-22-12-15(13-23-18)19(24)25-5;1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13;1-11-5(10)4-2-8-6(7)9-3-4;;/h8-9,12-14H,7,10-11H2,1-6H3;7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);6-7,10,12-13H,8-9,11H2,1-5H3;5-6,9H,7-8,15H2,1-4H3;2-3H,1H3;2*1H4.

What are the key properties of 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?

2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 1467.40 g/mol, XLogP of 19.46, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;methane;methyl 2-chloropyrimidine-5-carboxylate;methyl 2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylate;methyl 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 158174217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).