N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride

C17H13Br2ClN4O — CID 162658368

IUPACN-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride
SMILESCl.Nc1nccc(-c2cccc(NC(=O)c3cc(Br)cc(Br)c3)c2)n1
InChIInChI=1S/C17H12Br2N4O.ClH/c18-12-6-11(7-13(19)9-12)16(24)22-14-3-1-2-10(8-14)15-4-5-21-17(20)23-15;/h1-9H,(H,22,24)(H2,20,21,23);1H
InChIKeyOMFYAUPVBSUEIA-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.92
Rot. Bonds3

About N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride

N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride (PubChem CID 162658368) has the molecular formula C17H13Br2ClN4O and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride
PubChem CID162658368
Molecular FormulaC17H13Br2ClN4O
Molecular Weight484.58 g/mol
Exact Mass481.91
IUPAC NameN-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride
SMILESCl.Nc1nccc(-c2cccc(NC(=O)c3cc(Br)cc(Br)c3)c2)n1
InChIInChI=1S/C17H12Br2N4O.ClH/c18-12-6-11(7-13(19)9-12)16(24)22-14-3-1-2-10(8-14)15-4-5-21-17(20)23-15;/h1-9H,(H,22,24)(H2,20,21,23);1H
InChIKeyOMFYAUPVBSUEIA-UHFFFAOYSA-N
XLogP4.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259896
4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
4-(3-aminophenyl)pyrimidin-2-amine
CID 55250731
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
N-[5-[3-(2-aminopyrimidin-4-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168930131
[2-amino-5-(2-aminopyrimidin-4-yl)phenyl]-pyridin-3-ylmethanone
CID 163703633
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride?
The IUPAC name of N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride (CID 162658368) is N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride is Cl.Nc1nccc(-c2cccc(NC(=O)c3cc(Br)cc(Br)c3)c2)n1.
What is the InChIKey of N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride?
The InChIKey is OMFYAUPVBSUEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N4O.ClH/c18-12-6-11(7-13(19)9-12)16(24)22-14-3-1-2-10(8-14)15-4-5-21-17(20)23-15;/h1-9H,(H,22,24)(H2,20,21,23);1H.
What are the key properties of N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride?
N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride has a molecular weight of 484.58 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride is sourced from PubChem (CID 162658368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).