N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide

C21H24N6O3S — CID 155589764

About N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide

N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide (PubChem CID 155589764) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide
• PubChem CID: 155589764
• Molecular Formula: C21H24N6O3S
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.16
• IUPAC Name: N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide
• SMILES: Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(OCCNC(=O)C2COCCN2)n1
• InChI: InChI=1S/C21H24N6O3S/c1-14-25-18(27-21-24-12-17(31-21)15-5-3-2-4-6-15)11-19(26-14)30-10-8-23-20(28)16-13-29-9-7-22-16/h2-6,11-12,16,22H,7-10,13H2,1H3,(H,23,28)(H,24,25,26,27)
• InChIKey: GEPCIQVBGFQIGS-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 110.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide?

The IUPAC name of N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide (CID 155589764) is N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide.

What is the SMILES notation for N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide?

The canonical SMILES for N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide is Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(OCCNC(=O)C2COCCN2)n1.

What is the InChIKey of N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide?

The InChIKey is GEPCIQVBGFQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-14-25-18(27-21-24-12-17(31-21)15-5-3-2-4-6-15)11-19(26-14)30-10-8-23-20(28)16-13-29-9-7-22-16/h2-6,11-12,16,22H,7-10,13H2,1H3,(H,23,28)(H,24,25,26,27).

What are the key properties of N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide?

N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]morpholine-3-carboxamide is sourced from PubChem (CID 155589764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).