2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C63H70Br2F3N15O8 — CID 160553676

About 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 160553676) has the molecular formula C63H70Br2F3N15O8 and a molecular weight of 1382.15 g/mol. Its IUPAC name is 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 160553676
• Molecular Formula: C63H70Br2F3N15O8
• Molecular Weight: 1382.15 g/mol
• Exact Mass: 1379.39
• IUPAC Name: 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2cc(N3CCCCC3)cc(N3CCOCC3)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Nc3ccccc3CO)n2)cc(OC)c1OC.COc1ccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc1OC
• InChI: InChI=1S/C27H32BrN7O2.C20H21BrN4O4.C16H17F3N4O2/c1-29-26(36)22-7-3-4-8-24(22)32-25-23(28)18-30-27(33-25)31-19-15-20(34-9-5-2-6-10-34)17-21(16-19)35-11-13-37-14-12-35;1-27-16-8-13(9-17(28-2)18(16)29-3)23-20-22-10-14(21)19(25-20)24-15-7-5-4-6-12(15)11-26;1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h3-4,7-8,15-18H,2,5-6,9-14H2,1H3,(H,29,36)(H2,30,31,32,33);4-10,26H,11H2,1-3H3,(H2,22,23,24,25);5-9H,3-4H2,1-2H3,(H2,20,21,22,23)
• InChIKey: QYKANDMAWCNSHJ-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 260.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1382.15
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 160553676) is 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNC(=O)c1ccccc1Nc1nc(Nc2cc(N3CCCCC3)cc(N3CCOCC3)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Nc3ccccc3CO)n2)cc(OC)c1OC.COc1ccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc1OC.

What is the InChIKey of 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is QYKANDMAWCNSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32BrN7O2.C20H21BrN4O4.C16H17F3N4O2/c1-29-26(36)22-7-3-4-8-24(22)32-25-23(28)18-30-27(33-25)31-19-15-20(34-9-5-2-6-10-34)17-21(16-19)35-11-13-37-14-12-35;1-27-16-8-13(9-17(28-2)18(16)29-3)23-20-22-10-14(21)19(25-20)24-15-7-5-4-6-12(15)11-26;1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h3-4,7-8,15-18H,2,5-6,9-14H2,1H3,(H,29,36)(H2,30,31,32,33);4-10,26H,11H2,1-3H3,(H2,22,23,24,25);5-9H,3-4H2,1-2H3,(H2,20,21,22,23).

What are the key properties of 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 1382.15 g/mol, XLogP of 12.99, 21 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 160553676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).