2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide

C17H19BrN4O3 — CID 122318855

IUPAC2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2nccc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H19BrN4O3/c1-24-12-2-3-14(18)13(10-12)17(23)20-11-15-19-5-4-16(21-15)22-6-8-25-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,20,23)
InChIKeyFJJKJJQHDAMNNH-UHFFFAOYSA-N
MW407.27 g/mol
LogP2.01
Rot. Bonds5

About 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide

2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 122318855) has the molecular formula C17H19BrN4O3 and a molecular weight of 407.27 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID122318855
Molecular FormulaC17H19BrN4O3
Molecular Weight407.27 g/mol
Exact Mass406.06
IUPAC Name2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2nccc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H19BrN4O3/c1-24-12-2-3-14(18)13(10-12)17(23)20-11-15-19-5-4-16(21-15)22-6-8-25-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,20,23)
InChIKeyFJJKJJQHDAMNNH-UHFFFAOYSA-N
XLogP2.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122318787
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17473474
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122318776
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122318833
3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318892

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (CID 122318855) is 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is COc1ccc(Br)c(C(=O)NCc2nccc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is FJJKJJQHDAMNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O3/c1-24-12-2-3-14(18)13(10-12)17(23)20-11-15-19-5-4-16(21-15)22-6-8-25-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,20,23).
What are the key properties of 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 407.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 122318855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).