2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide

C24H26N8O4S — CID 86682171

IUPAC2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1
InChIInChI=1S/C24H26N8O4S/c1-3-36-19-5-4-15(11-25-19)21-28-18-10-17(37-20(18)22(29-21)32-6-8-35-9-7-32)14-31(2)24-26-12-16(13-27-24)23(33)30-34/h4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,33)
InChIKeyFXQIUMPDONUPMH-UHFFFAOYSA-N
MW522.59 g/mol
LogP2.53
Rot. Bonds8

About 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide

2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 86682171) has the molecular formula C24H26N8O4S and a molecular weight of 522.59 g/mol. Its IUPAC name is 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID86682171
Molecular FormulaC24H26N8O4S
Molecular Weight522.59 g/mol
Exact Mass522.18
IUPAC Name2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1
InChIInChI=1S/C24H26N8O4S/c1-3-36-19-5-4-15(11-25-19)21-28-18-10-17(37-20(18)22(29-21)32-6-8-35-9-7-32)14-31(2)24-26-12-16(13-27-24)23(33)30-34/h4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,33)
InChIKeyFXQIUMPDONUPMH-UHFFFAOYSA-N
XLogP2.53
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.59
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide (CID 86682171) is 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide is CCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1.
What is the InChIKey of 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is FXQIUMPDONUPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O4S/c1-3-36-19-5-4-15(11-25-19)21-28-18-10-17(37-20(18)22(29-21)32-6-8-35-9-7-32)14-31(2)24-26-12-16(13-27-24)23(33)30-34/h4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,33).
What are the key properties of 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 522.59 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 86682171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).