N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine

C58H74ClN21O5 — CID 162165024

About N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine

N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine (PubChem CID 162165024) has the molecular formula C58H74ClN21O5 and a molecular weight of 1180.82 g/mol. Its IUPAC name is N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine.

Molecular Properties

• Compound Name: N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine
• PubChem CID: 162165024
• Molecular Formula: C58H74ClN21O5
• Molecular Weight: 1180.82 g/mol
• Exact Mass: 1179.59
• IUPAC Name: N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine
• SMILES: CC(=O)Nc1cc(-c2cccc(Cl)n2)nc(-n2nc(C)cc2C)n1.CNCCOC.COCCN(C)c1cccc(-c2cc(N)nc(-n3nc(C)cc3C)n2)n1.COCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1
• InChI: InChI=1S/C20H25N7O2.C18H23N7O.C16H15ClN6O.C4H11NO/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5;1-12-10-13(2)25(23-12)18-21-15(11-16(19)22-18)14-6-5-7-17(20-14)24(3)8-9-26-4;1-9-7-10(2)23(22-9)16-20-13(8-15(21-16)18-11(3)24)12-5-4-6-14(17)19-12;1-5-3-4-6-2/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28);5-7,10-11H,8-9H2,1-4H3,(H2,19,21,22);4-8H,1-3H3,(H,18,20,21,24);5H,3-4H2,1-2H3
• InChIKey: ZMZTYQXLZKFKRX-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 299.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1180.82
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine?

The IUPAC name of N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine (CID 162165024) is N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine.

What is the SMILES notation for N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine?

The canonical SMILES for N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine is CC(=O)Nc1cc(-c2cccc(Cl)n2)nc(-n2nc(C)cc2C)n1.CNCCOC.COCCN(C)c1cccc(-c2cc(N)nc(-n3nc(C)cc3C)n2)n1.COCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1.

What is the InChIKey of N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine?

The InChIKey is ZMZTYQXLZKFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2.C18H23N7O.C16H15ClN6O.C4H11NO/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5;1-12-10-13(2)25(23-12)18-21-15(11-16(19)22-18)14-6-5-7-17(20-14)24(3)8-9-26-4;1-9-7-10(2)23(22-9)16-20-13(8-15(21-16)18-11(3)24)12-5-4-6-14(17)19-12;1-5-3-4-6-2/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28);5-7,10-11H,8-9H2,1-4H3,(H2,19,21,22);4-8H,1-3H3,(H,18,20,21,24);5H,3-4H2,1-2H3.

What are the key properties of N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine?

N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine has a molecular weight of 1180.82 g/mol, XLogP of 7.19, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide;2-methoxy-N-methylethanamine is sourced from PubChem (CID 162165024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).