N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide

C21H22N8O4S — CID 87277109

About N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide (PubChem CID 87277109) has the molecular formula C21H22N8O4S and a molecular weight of 482.53 g/mol. Its IUPAC name is N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide
• PubChem CID: 87277109
• Molecular Formula: C21H22N8O4S
• Molecular Weight: 482.53 g/mol
• Exact Mass: 482.15
• IUPAC Name: N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide
• SMILES: COc1ccc(-c2nc3c(c(N4CCOCC4)n2)SC(Nc2ncc(C(=O)NO)cn2)C3)cn1
• InChI: InChI=1S/C21H22N8O4S/c1-32-15-3-2-12(9-22-15)18-25-14-8-16(26-21-23-10-13(11-24-21)20(30)28-31)34-17(14)19(27-18)29-4-6-33-7-5-29/h2-3,9-11,16,31H,4-8H2,1H3,(H,28,30)(H,23,24,26)
• InChIKey: KGPUYWUEXDRFHZ-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 147.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.53
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide?

The IUPAC name of N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide (CID 87277109) is N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide.

What is the SMILES notation for N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide?

The canonical SMILES for N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide is COc1ccc(-c2nc3c(c(N4CCOCC4)n2)SC(Nc2ncc(C(=O)NO)cn2)C3)cn1.

What is the InChIKey of N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide?

The InChIKey is KGPUYWUEXDRFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O4S/c1-32-15-3-2-12(9-22-15)18-25-14-8-16(26-21-23-10-13(11-24-21)20(30)28-31)34-17(14)19(27-18)29-4-6-33-7-5-29/h2-3,9-11,16,31H,4-8H2,1H3,(H,28,30)(H,23,24,26).

What are the key properties of N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide?

N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 87277109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).