N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide

C12H10BrN3O2 — CID 135750020

IUPACN-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C12H10BrN3O2/c1-7(17)14-12-15-10(9(13)11(18)16-12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyYVMWEOWUBQRIOI-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.16
Rot. Bonds2

About N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide

N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide (PubChem CID 135750020) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
PubChem CID135750020
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC NameN-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C12H10BrN3O2/c1-7(17)14-12-15-10(9(13)11(18)16-12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyYVMWEOWUBQRIOI-UHFFFAOYSA-N
XLogP2.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bropirimine
CID 135413497
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
4(1H)-Pyrimidinone, 2-amino-5-chloro-6-phenyl-
CID 135480622
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
6-ethyl-2-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135439812
2-amino-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136097004
2-(Methylamino)-6-phenylpyrimidin-4-ol
CID 135973621
2-amino-6-[2-(3-bromophenyl)ethyl]pyrimidin-4(3H)-one
CID 135779828
2-Amino-5-bromo-6-(3-fluorophenyl)-4(3H)pyrimidinone
CID 135407143

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide (CID 135750020) is N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide is CC(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1.
What is the InChIKey of N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide?
The InChIKey is YVMWEOWUBQRIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-7(17)14-12-15-10(9(13)11(18)16-12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,14,15,16,17,18).
What are the key properties of N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide?
N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide has a molecular weight of 308.14 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135750020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).