2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide

C25H26FN7O4S — CID 87407071

IUPAC2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(Cc1cc2nc(N3CCOC(c4cc(CCO)ccc4F)C3)ncc2s1)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C25H26FN7O4S/c1-32(24-27-10-16(11-28-24)23(35)31-36)13-17-9-20-22(38-17)12-29-25(30-20)33-5-7-37-21(14-33)18-8-15(4-6-34)2-3-19(18)26/h2-3,8-12,21,34,36H,4-7,13-14H2,1H3,(H,31,35)
InChIKeyAKVWJQQUIPSGHC-UHFFFAOYSA-N
MW539.59 g/mol
LogP2.49
Rot. Bonds8

About 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide

2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 87407071) has the molecular formula C25H26FN7O4S and a molecular weight of 539.59 g/mol. Its IUPAC name is 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID87407071
Molecular FormulaC25H26FN7O4S
Molecular Weight539.59 g/mol
Exact Mass539.18
IUPAC Name2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(Cc1cc2nc(N3CCOC(c4cc(CCO)ccc4F)C3)ncc2s1)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C25H26FN7O4S/c1-32(24-27-10-16(11-28-24)23(35)31-36)13-17-9-20-22(38-17)12-29-25(30-20)33-5-7-37-21(14-33)18-8-15(4-6-34)2-3-19(18)26/h2-3,8-12,21,34,36H,4-7,13-14H2,1H3,(H,31,35)
InChIKeyAKVWJQQUIPSGHC-UHFFFAOYSA-N
XLogP2.49
TPSA136.83 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide (CID 87407071) is 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide is CN(Cc1cc2nc(N3CCOC(c4cc(CCO)ccc4F)C3)ncc2s1)c1ncc(C(=O)NO)cn1.
What is the InChIKey of 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is AKVWJQQUIPSGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O4S/c1-32(24-27-10-16(11-28-24)23(35)31-36)13-17-9-20-22(38-17)12-29-25(30-20)33-5-7-37-21(14-33)18-8-15(4-6-34)2-3-19(18)26/h2-3,8-12,21,34,36H,4-7,13-14H2,1H3,(H,31,35).
What are the key properties of 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 539.59 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 87407071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).