6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C23H29N7O3 — CID 90805752

About 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 90805752) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
• PubChem CID: 90805752
• Molecular Formula: C23H29N7O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.23
• IUPAC Name: 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
• SMILES: Cc1[nH]c2ccc(NC(=O)c3cc(N(C)C(=O)N(C)C)nc(N4CCOCC4)n3)cc2c1C
• InChI: InChI=1S/C23H29N7O3/c1-14-15(2)24-18-7-6-16(12-17(14)18)25-21(31)19-13-20(29(5)23(32)28(3)4)27-22(26-19)30-8-10-33-11-9-30/h6-7,12-13,24H,8-11H2,1-5H3,(H,25,31)
• InChIKey: HEADAJYYNWDDES-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 106.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?

The IUPAC name of 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 90805752) is 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

What is the SMILES notation for 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?

The canonical SMILES for 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1[nH]c2ccc(NC(=O)c3cc(N(C)C(=O)N(C)C)nc(N4CCOCC4)n3)cc2c1C.

What is the InChIKey of 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?

The InChIKey is HEADAJYYNWDDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-14-15(2)24-18-7-6-16(12-17(14)18)25-21(31)19-13-20(29(5)23(32)28(3)4)27-22(26-19)30-8-10-33-11-9-30/h6-7,12-13,24H,8-11H2,1-5H3,(H,25,31).

What are the key properties of 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?

6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 90805752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).