4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

C15H15IN4O2 — CID 122299046

IUPAC4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCOCC2)nc1)c1ccc(I)cc1
InChIInChI=1S/C15H15IN4O2/c16-12-3-1-11(2-4-12)14(21)19-13-9-17-15(18-10-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,19,21)
InChIKeyASIGNEWZUQNFLI-UHFFFAOYSA-N
MW410.22 g/mol
LogP2.17
Rot. Bonds3

About 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (PubChem CID 122299046) has the molecular formula C15H15IN4O2 and a molecular weight of 410.22 g/mol. Its IUPAC name is 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
PubChem CID122299046
Molecular FormulaC15H15IN4O2
Molecular Weight410.22 g/mol
Exact Mass410.02
IUPAC Name4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCOCC2)nc1)c1ccc(I)cc1
InChIInChI=1S/C15H15IN4O2/c16-12-3-1-11(2-4-12)14(21)19-13-9-17-15(18-10-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,19,21)
InChIKeyASIGNEWZUQNFLI-UHFFFAOYSA-N
XLogP2.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
2-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299045
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
6-cyclopentyloxy-N-(2-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298955
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (CID 122299046) is 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(N2CCOCC2)nc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The InChIKey is ASIGNEWZUQNFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN4O2/c16-12-3-1-11(2-4-12)14(21)19-13-9-17-15(18-10-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,19,21).
What are the key properties of 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide has a molecular weight of 410.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 122299046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).