4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide

C18H14BrN3O3 — CID 21089386

IUPAC4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1
InChIInChI=1S/C18H14BrN3O3/c19-15-17(25-10-12-4-2-1-3-5-12)21-11-22(18(15)24)14-8-6-13(7-9-14)16(20)23/h1-9,11H,10H2,(H2,20,23)
InChIKeyURUBQSCOSVNOOM-UHFFFAOYSA-N
MW400.23 g/mol
LogP2.67
Rot. Bonds5

About 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide

4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide (PubChem CID 21089386) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide.

Molecular Properties

Compound Name4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
PubChem CID21089386
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC Name4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1
InChIInChI=1S/C18H14BrN3O3/c19-15-17(25-10-12-4-2-1-3-5-12)21-11-22(18(15)24)14-8-6-13(7-9-14)16(20)23/h1-9,11H,10H2,(H2,20,23)
InChIKeyURUBQSCOSVNOOM-UHFFFAOYSA-N
XLogP2.67
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide?
The IUPAC name of 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide (CID 21089386) is 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide.
What is the SMILES notation for 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide?
The canonical SMILES for 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide is NC(=O)c1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1.
What is the InChIKey of 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide?
The InChIKey is URUBQSCOSVNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c19-15-17(25-10-12-4-2-1-3-5-12)21-11-22(18(15)24)14-8-6-13(7-9-14)16(20)23/h1-9,11H,10H2,(H2,20,23).
What are the key properties of 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide?
4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide has a molecular weight of 400.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide is sourced from PubChem (CID 21089386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).