2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C70H66Br2F6N18O11 — CID 159757189

About 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 159757189) has the molecular formula C70H66Br2F6N18O11 and a molecular weight of 1609.21 g/mol. Its IUPAC name is 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 159757189
• Molecular Formula: C70H66Br2F6N18O11
• Molecular Weight: 1609.21 g/mol
• Exact Mass: 1606.34
• IUPAC Name: 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC.FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1.FC(F)(F)c1cnc(Nc2cccnc2)nc1NC1CC1
• InChI: InChI=1S/C21H21BrN4O6.C20H19BrN4O5.C16H14F3N5.C13H12F3N5/c1-23-19(28)17-13(27)6-5-7-14(17)32-20-12(22)10-24-21(26-20)25-11-8-15(29-2)18(31-4)16(9-11)30-3;1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13;14-13(15,16)10-7-18-12(20-9-2-1-5-17-6-9)21-11(10)19-8-3-4-8/h5-10,27H,1-4H3,(H,23,28)(H,24,25,26);4-10H,1-3H3,(H2,22,26)(H,23,24,25);3-8,10,20H,1-2H2,(H2,21,22,23,24);1-2,5-8H,3-4H2,(H2,18,19,20,21)
• InChIKey: NEKMIXOLZWHZCD-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 370.24 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1609.21
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 159757189) is 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC.FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1.FC(F)(F)c1cnc(Nc2cccnc2)nc1NC1CC1.

What is the InChIKey of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is NEKMIXOLZWHZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O6.C20H19BrN4O5.C16H14F3N5.C13H12F3N5/c1-23-19(28)17-13(27)6-5-7-14(17)32-20-12(22)10-24-21(26-20)25-11-8-15(29-2)18(31-4)16(9-11)30-3;1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13;14-13(15,16)10-7-18-12(20-9-2-1-5-17-6-9)21-11(10)19-8-3-4-8/h5-10,27H,1-4H3,(H,23,28)(H,24,25,26);4-10H,1-3H3,(H2,22,26)(H,23,24,25);3-8,10,20H,1-2H2,(H2,21,22,23,24);1-2,5-8H,3-4H2,(H2,18,19,20,21).

What are the key properties of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 1609.21 g/mol, XLogP of 15.27, 24 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159757189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).