N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

C24H32N6O5 — CID 91415700

About N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (PubChem CID 91415700) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
• PubChem CID: 91415700
• Molecular Formula: C24H32N6O5
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.24
• IUPAC Name: N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
• SMILES: CONC=Cc1cccc(NC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
• InChI: InChI=1S/C24H32N6O5/c1-32-25-6-5-19-3-2-4-20(17-19)26-23(31)21-18-22(35-16-9-29-7-12-33-13-8-29)28-24(27-21)30-10-14-34-15-11-30/h2-6,17-18,25H,7-16H2,1H3,(H,26,31)
• InChIKey: XDNKPZYBMCXHOO-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 110.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?

The IUPAC name of N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (CID 91415700) is N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.

What is the SMILES notation for N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?

The canonical SMILES for N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is CONC=Cc1cccc(NC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1.

What is the InChIKey of N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?

The InChIKey is XDNKPZYBMCXHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-32-25-6-5-19-3-2-4-20(17-19)26-23(31)21-18-22(35-16-9-29-7-12-33-13-8-29)28-24(27-21)30-10-14-34-15-11-30/h2-6,17-18,25H,7-16H2,1H3,(H,26,31).

What are the key properties of N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?

N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 91415700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).