N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide

C23H18N8O — CID 44611916

IUPACN-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cnc4ccncn34)n2)cc1
InChIInChI=1S/C23H18N8O/c24-17-3-1-2-4-18(17)29-22(32)15-5-7-16(8-6-15)28-23-26-12-9-19(30-23)20-13-27-21-10-11-25-14-31(20)21/h1-14H,24H2,(H,29,32)(H,26,28,30)
InChIKeyLEUBAZBDDIWENE-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.76
Rot. Bonds5

About N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide

N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 44611916) has the molecular formula C23H18N8O and a molecular weight of 422.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID44611916
Molecular FormulaC23H18N8O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC NameN-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cnc4ccncn34)n2)cc1
InChIInChI=1S/C23H18N8O/c24-17-3-1-2-4-18(17)29-22(32)15-5-7-16(8-6-15)28-23-26-12-9-19(30-23)20-13-27-21-10-11-25-14-31(20)21/h1-14H,24H2,(H,29,32)(H,26,28,30)
InChIKeyLEUBAZBDDIWENE-UHFFFAOYSA-N
XLogP3.76
TPSA123.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44610993
N-(2-aminophenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611377
N-(2-aminophenyl)-4-[[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611113
N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 59176804
N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
CID 72705687
N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163785
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 58163728
N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
CID 58930542
3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 59176893
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide (CID 44611916) is N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide is Nc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cnc4ccncn34)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is LEUBAZBDDIWENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O/c24-17-3-1-2-4-18(17)29-22(32)15-5-7-16(8-6-15)28-23-26-12-9-19(30-23)20-13-27-21-10-11-25-14-31(20)21/h1-14H,24H2,(H,29,32)(H,26,28,30).
What are the key properties of N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide?
N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 422.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 44611916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).