N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide

C12H11BrN4O2 — CID 80882186

IUPACN-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1nc(N)ncc1Br
InChIInChI=1S/C12H11BrN4O2/c1-7(18)16-9-4-2-3-5-10(9)19-11-8(13)6-15-12(14)17-11/h2-6H,1H3,(H,16,18)(H2,14,15,17)
InChIKeyNVABUFCYYUKOJW-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.57
Rot. Bonds3

About N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide

N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 80882186) has the molecular formula C12H11BrN4O2 and a molecular weight of 323.15 g/mol. Its IUPAC name is N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID80882186
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC NameN-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1nc(N)ncc1Br
InChIInChI=1S/C12H11BrN4O2/c1-7(18)16-9-4-2-3-5-10(9)19-11-8(13)6-15-12(14)17-11/h2-6H,1H3,(H,16,18)(H2,14,15,17)
InChIKeyNVABUFCYYUKOJW-UHFFFAOYSA-N
XLogP2.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-aminopyrimidin-4-yl)oxyphenyl]acetamide
CID 79917590
N-[2-[(5-amino-4-methyl-2-pyridinyl)oxy]phenyl]acetamide
CID 79175977
6-(2-acetamidophenoxy)-5-aminopyridine-2-carboxylic acid
CID 114408530
N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide
CID 66320025
N-[2-[(3-sulfamoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 115928437
N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 16789726
N-[2-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 80987961
N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide
CID 62913100
N-[2-[(3-amino-4-bromophenyl)methoxy]phenyl]acetamide
CID 115557455
2-(2-acetamidophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83178889
(2-acetamidophenyl) hypochlorite
CID 150463309
5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
CID 80869770

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide (CID 80882186) is N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide is CC(=O)Nc1ccccc1Oc1nc(N)ncc1Br.
What is the InChIKey of N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is NVABUFCYYUKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2/c1-7(18)16-9-4-2-3-5-10(9)19-11-8(13)6-15-12(14)17-11/h2-6H,1H3,(H,16,18)(H2,14,15,17).
What are the key properties of N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide?
N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 323.15 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 80882186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).