N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

C12H10BrIN4O2 — CID 66309265

IUPACN-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESNc1ccc(NC(=O)Cn2cncc(I)c2=O)c(Br)c1
InChIInChI=1S/C12H10BrIN4O2/c13-8-3-7(15)1-2-10(8)17-11(19)5-18-6-16-4-9(14)12(18)20/h1-4,6H,5,15H2,(H,17,19)
InChIKeyNDTVQNBFMZZFTF-UHFFFAOYSA-N
MW449.05 g/mol
LogP1.83
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66309265) has the molecular formula C12H10BrIN4O2 and a molecular weight of 449.05 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66309265
Molecular FormulaC12H10BrIN4O2
Molecular Weight449.05 g/mol
Exact Mass447.90
IUPAC NameN-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESNc1ccc(NC(=O)Cn2cncc(I)c2=O)c(Br)c1
InChIInChI=1S/C12H10BrIN4O2/c13-8-3-7(15)1-2-10(8)17-11(19)5-18-6-16-4-9(14)12(18)20/h1-4,6H,5,15H2,(H,17,19)
InChIKeyNDTVQNBFMZZFTF-UHFFFAOYSA-N
XLogP1.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.05
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66309265) is N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is Nc1ccc(NC(=O)Cn2cncc(I)c2=O)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is NDTVQNBFMZZFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN4O2/c13-8-3-7(15)1-2-10(8)17-11(19)5-18-6-16-4-9(14)12(18)20/h1-4,6H,5,15H2,(H,17,19).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 449.05 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66309265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).