2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide

C13H12BrN3O2 — CID 66310621

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cncc(Br)c2=O)c1
InChIInChI=1S/C13H12BrN3O2/c1-9-3-2-4-10(5-9)16-12(18)7-17-8-15-6-11(14)13(17)19/h2-6,8H,7H2,1H3,(H,16,18)
InChIKeyHVEDJTBFYYPYGD-UHFFFAOYSA-N
MW322.16 g/mol
LogP1.95
Rot. Bonds3

About 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide

2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 66310621) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID66310621
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cncc(Br)c2=O)c1
InChIInChI=1S/C13H12BrN3O2/c1-9-3-2-4-10(5-9)16-12(18)7-17-8-15-6-11(14)13(17)19/h2-6,8H,7H2,1H3,(H,16,18)
InChIKeyHVEDJTBFYYPYGD-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
N-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 7104057
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 66309570
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106
2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 79354801

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide (CID 66310621) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cncc(Br)c2=O)c1.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is HVEDJTBFYYPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-9-3-2-4-10(5-9)16-12(18)7-17-8-15-6-11(14)13(17)19/h2-6,8H,7H2,1H3,(H,16,18).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 322.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 66310621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).