4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide

C16H17BrN4O2 — CID 122353608

IUPAC4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN4O2/c17-13-3-1-12(2-4-13)15(22)19-11-14-5-6-18-16(20-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,19,22)
InChIKeyADFQRTZXLOLRJF-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.01
Rot. Bonds4

About 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide

4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122353608) has the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID122353608
Molecular FormulaC16H17BrN4O2
Molecular Weight377.24 g/mol
Exact Mass376.05
IUPAC Name4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN4O2/c17-13-3-1-12(2-4-13)15(22)19-11-14-5-6-18-16(20-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,19,22)
InChIKeyADFQRTZXLOLRJF-UHFFFAOYSA-N
XLogP2.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122353371
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 91967117
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967359
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
CID 122353411
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
3,5-dinitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352195
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122353494

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (CID 122353608) is 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is ADFQRTZXLOLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2/c17-13-3-1-12(2-4-13)15(22)19-11-14-5-6-18-16(20-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,19,22).
What are the key properties of 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 377.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122353608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).