4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C75H78Br2F6N18O10 — CID 158617639

About 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 158617639) has the molecular formula C75H78Br2F6N18O10 and a molecular weight of 1665.36 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 158617639
• Molecular Formula: C75H78Br2F6N18O10
• Molecular Weight: 1665.36 g/mol
• Exact Mass: 1662.44
• IUPAC Name: 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CC1Nc2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cc2O1.CCN1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21.COc1cc(Nc2ncc(Br)c(Oc3ccccc3CC(C)=O)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3N)n2)cc(OC)c1OC
• InChI: InChI=1S/C22H22BrN3O5.C19H19BrN4O4.C18H21F3N6.C16H16F3N5O/c1-13(27)9-14-7-5-6-8-17(14)31-21-16(23)12-24-22(26-21)25-15-10-18(28-2)20(30-4)19(11-15)29-3;1-25-15-8-11(9-16(26-2)17(15)27-3)23-19-22-10-12(20)18(24-19)28-14-7-5-4-6-13(14)21;1-2-27-7-3-4-11-8-13(9-22-16(11)27)25-17-23-10-14(18(19,20)21)15(26-17)24-12-5-6-12;1-8-21-12-5-4-10(6-13(12)25-8)23-15-20-7-11(16(17,18)19)14(24-15)22-9-2-3-9/h5-8,10-12H,9H2,1-4H3,(H,24,25,26);4-10H,21H2,1-3H3,(H,22,23,24);8-10,12H,2-7H2,1H3,(H2,23,24,25,26);4-9,21H,2-3H2,1H3,(H2,20,22,23,24)
• InChIKey: HXOWETKQNWKSDW-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 329.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.36
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 158617639) is 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CC1Nc2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cc2O1.CCN1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21.COc1cc(Nc2ncc(Br)c(Oc3ccccc3CC(C)=O)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3N)n2)cc(OC)c1OC.

What is the InChIKey of 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is HXOWETKQNWKSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O5.C19H19BrN4O4.C18H21F3N6.C16H16F3N5O/c1-13(27)9-14-7-5-6-8-17(14)31-21-16(23)12-24-22(26-21)25-15-10-18(28-2)20(30-4)19(11-15)29-3;1-25-15-8-11(9-16(26-2)17(15)27-3)23-19-22-10-12(20)18(24-19)28-14-7-5-4-6-13(14)21;1-2-27-7-3-4-11-8-13(9-22-16(11)27)25-17-23-10-14(18(19,20)21)15(26-17)24-12-5-6-12;1-8-21-12-5-4-10(6-13(12)25-8)23-15-20-7-11(16(17,18)19)14(24-15)22-9-2-3-9/h5-8,10-12H,9H2,1-4H3,(H,24,25,26);4-10H,21H2,1-3H3,(H,22,23,24);8-10,12H,2-7H2,1H3,(H2,23,24,25,26);4-9,21H,2-3H2,1H3,(H2,20,22,23,24).

What are the key properties of 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 1665.36 g/mol, XLogP of 17.26, 25 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-2-one;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158617639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).