5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide

C19H18BrN5O3 — CID 25117136

IUPAC5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C19H18BrN5O3/c1-25-17(24-15(10-18(25)26)14-5-7-21-11-23-14)6-8-22-19(27)13-9-12(20)3-4-16(13)28-2/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,27)
InChIKeyUTLUHEUGVYGBND-UHFFFAOYSA-N
MW444.29 g/mol
LogP1.98
Rot. Bonds6

About 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide

5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide (PubChem CID 25117136) has the molecular formula C19H18BrN5O3 and a molecular weight of 444.29 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
PubChem CID25117136
Molecular FormulaC19H18BrN5O3
Molecular Weight444.29 g/mol
Exact Mass443.06
IUPAC Name5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C19H18BrN5O3/c1-25-17(24-15(10-18(25)26)14-5-7-21-11-23-14)6-8-22-19(27)13-9-12(20)3-4-16(13)28-2/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,27)
InChIKeyUTLUHEUGVYGBND-UHFFFAOYSA-N
XLogP1.98
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
CID 25067569
4-fluoro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
CID 68577570
2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 68532318
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 25117147
4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 78988023
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
methyl 4-[(5-bromo-2-methoxybenzoyl)amino]butanoate
CID 113241279
5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide
CID 110611985
6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261404
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide (CID 25117136) is 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide is COc1ccc(Br)cc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The InChIKey is UTLUHEUGVYGBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O3/c1-25-17(24-15(10-18(25)26)14-5-7-21-11-23-14)6-8-22-19(27)13-9-12(20)3-4-16(13)28-2/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,27).
What are the key properties of 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide has a molecular weight of 444.29 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 25117136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).