N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine

C44H61ClI2N10O8 — CID 159186020

About N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine

N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine (PubChem CID 159186020) has the molecular formula C44H61ClI2N10O8 and a molecular weight of 1147.29 g/mol. Its IUPAC name is N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine
• PubChem CID: 159186020
• Molecular Formula: C44H61ClI2N10O8
• Molecular Weight: 1147.29 g/mol
• Exact Mass: 1146.25
• IUPAC Name: N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine
• SMILES: CC1CNCC(C)O1.COc1cc(C(C)C)c(Oc2cnc(NC(=O)CCl)nc2N)cc1I.COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CC(C)OC(C)C3)nc2N)cc1I
• InChI: InChI=1S/C22H30IN5O4.C16H18ClIN4O3.C6H13NO/c1-12(2)15-6-18(30-5)16(23)7-17(15)32-19-8-25-22(27-21(19)24)26-20(29)11-28-9-13(3)31-14(4)10-28;1-8(2)9-4-12(24-3)10(18)5-11(9)25-13-7-20-16(22-15(13)19)21-14(23)6-17;1-5-3-7-4-6(2)8-5/h6-8,12-14H,9-11H2,1-5H3,(H3,24,25,26,27,29);4-5,7-8H,6H2,1-3H3,(H3,19,20,21,22,23);5-7H,3-4H2,1-2H3
• InChIKey: KNMNNWMFCABEPP-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 232.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1147.29
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine?

The IUPAC name of N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine (CID 159186020) is N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine.

What is the SMILES notation for N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine?

The canonical SMILES for N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine is CC1CNCC(C)O1.COc1cc(C(C)C)c(Oc2cnc(NC(=O)CCl)nc2N)cc1I.COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CC(C)OC(C)C3)nc2N)cc1I.

What is the InChIKey of N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine?

The InChIKey is KNMNNWMFCABEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30IN5O4.C16H18ClIN4O3.C6H13NO/c1-12(2)15-6-18(30-5)16(23)7-17(15)32-19-8-25-22(27-21(19)24)26-20(29)11-28-9-13(3)31-14(4)10-28;1-8(2)9-4-12(24-3)10(18)5-11(9)25-13-7-20-16(22-15(13)19)21-14(23)6-17;1-5-3-7-4-6(2)8-5/h6-8,12-14H,9-11H2,1-5H3,(H3,24,25,26,27,29);4-5,7-8H,6H2,1-3H3,(H3,19,20,21,22,23);5-7H,3-4H2,1-2H3.

What are the key properties of N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine?

N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine has a molecular weight of 1147.29 g/mol, XLogP of 7.78, 13 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-chloroacetamide;N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide;2,6-dimethylmorpholine is sourced from PubChem (CID 159186020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).