N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C53H57F3N16O4 — CID 143951843

About N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 143951843) has the molecular formula C53H57F3N16O4 and a molecular weight of 1039.14 g/mol. Its IUPAC name is N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
• PubChem CID: 143951843
• Molecular Formula: C53H57F3N16O4
• Molecular Weight: 1039.14 g/mol
• Exact Mass: 1038.47
• IUPAC Name: N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
• SMILES: CNC.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CCOCC3)nc12.Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc12
• InChI: InChI=1S/C27H29N7O2.C24H21F3N8O2.C2H7N/c1-17(2)19-5-4-6-21(13-19)31-26(35)20-8-7-18(3)22(14-20)32-25-24-23(29-16-30-25)15-28-27(33-24)34-9-11-36-12-10-34;1-14-2-3-15(22(36)33-19-11-16(4-5-28-19)24(25,26)27)10-17(14)32-21-20-18(30-13-31-21)12-29-23(34-20)35-6-8-37-9-7-35;1-3-2/h4-8,13-17H,9-12H2,1-3H3,(H,31,35)(H,29,30,32);2-5,10-13H,6-9H2,1H3,(H,28,33,36)(H,30,31,32);3H,1-2H3
• InChIKey: RMCMXLOFSFNROX-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 235.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.14
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The IUPAC name of N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 143951843) is N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

What is the SMILES notation for N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The canonical SMILES for N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CNC.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CCOCC3)nc12.Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc12.

What is the InChIKey of N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The InChIKey is RMCMXLOFSFNROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2.C24H21F3N8O2.C2H7N/c1-17(2)19-5-4-6-21(13-19)31-26(35)20-8-7-18(3)22(14-20)32-25-24-23(29-16-30-25)15-28-27(33-24)34-9-11-36-12-10-34;1-14-2-3-15(22(36)33-19-11-16(4-5-28-19)24(25,26)27)10-17(14)32-21-20-18(30-13-31-21)12-29-23(34-20)35-6-8-37-9-7-35;1-3-2/h4-8,13-17H,9-12H2,1-3H3,(H,31,35)(H,29,30,32);2-5,10-13H,6-9H2,1H3,(H,28,33,36)(H,30,31,32);3H,1-2H3.

What are the key properties of N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 1039.14 g/mol, XLogP of 8.49, 11 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-methylmethanamine;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-(3-propan-2-ylphenyl)benzamide;4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 143951843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).