4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide

C17H20IN5O2 — CID 122328145

IUPAC4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1cc(N2CCOCC2)ncn1)c1ccc(I)cc1
InChIInChI=1S/C17H20IN5O2/c18-14-3-1-13(2-4-14)17(24)20-6-5-19-15-11-16(22-12-21-15)23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,20,24)(H,19,21,22)
InChIKeyWIUASLRSWHESBZ-UHFFFAOYSA-N
MW453.28 g/mol
LogP1.76
Rot. Bonds6

About 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide

4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 122328145) has the molecular formula C17H20IN5O2 and a molecular weight of 453.28 g/mol. Its IUPAC name is 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID122328145
Molecular FormulaC17H20IN5O2
Molecular Weight453.28 g/mol
Exact Mass453.07
IUPAC Name4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1cc(N2CCOCC2)ncn1)c1ccc(I)cc1
InChIInChI=1S/C17H20IN5O2/c18-14-3-1-13(2-4-14)17(24)20-6-5-19-15-11-16(22-12-21-15)23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,20,24)(H,19,21,22)
InChIKeyWIUASLRSWHESBZ-UHFFFAOYSA-N
XLogP1.76
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328012
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122327974
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 70702890
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-nitrobenzamide
CID 122328147
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327950
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122327907
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide (CID 122328145) is 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide is O=C(NCCNc1cc(N2CCOCC2)ncn1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is WIUASLRSWHESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN5O2/c18-14-3-1-13(2-4-14)17(24)20-6-5-19-15-11-16(22-12-21-15)23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,20,24)(H,19,21,22).
What are the key properties of 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 453.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 122328145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).