N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide

C28H28N4O2 — CID 135869613

IUPACN-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide
SMILESNc1ccccc1NC(=O)CCCCCc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1
InChIInChI=1S/C28H28N4O2/c29-23-11-7-8-12-24(23)31-27(33)14-6-2-5-13-26-30-25(19-28(34)32-26)22-17-15-21(16-18-22)20-9-3-1-4-10-20/h1,3-4,7-12,15-19H,2,5-6,13-14,29H2,(H,31,33)(H,30,32,34)
InChIKeyQJKSPKFVGMKVAJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.43
Rot. Bonds9

About N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide

N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide (PubChem CID 135869613) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide
PubChem CID135869613
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide
SMILESNc1ccccc1NC(=O)CCCCCc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1
InChIInChI=1S/C28H28N4O2/c29-23-11-7-8-12-24(23)31-27(33)14-6-2-5-13-26-30-25(19-28(34)32-26)22-17-15-21(16-18-22)20-9-3-1-4-10-20/h1,3-4,7-12,15-19H,2,5-6,13-14,29H2,(H,31,33)(H,30,32,34)
InChIKeyQJKSPKFVGMKVAJ-UHFFFAOYSA-N
XLogP5.43
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-aminophenyl)octadecanamide
CID 68839220
N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 162514443
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
CID 134533298
2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
CID 135577957
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
CID 28945204
2-[7-(2-aminoanilino)-7-oxoheptyl]-4-methylbenzamide
CID 156690682
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N'-(2-aminophenyl)-N-(3-bromophenyl)heptanediamide;6-(1H-benzimidazol-2-yl)-N-(3-bromophenyl)hexanamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hydron;methane
CID 159252706

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide?
The IUPAC name of N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide (CID 135869613) is N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide?
The canonical SMILES for N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide is Nc1ccccc1NC(=O)CCCCCc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1.
What is the InChIKey of N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide?
The InChIKey is QJKSPKFVGMKVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c29-23-11-7-8-12-24(23)31-27(33)14-6-2-5-13-26-30-25(19-28(34)32-26)22-17-15-21(16-18-22)20-9-3-1-4-10-20/h1,3-4,7-12,15-19H,2,5-6,13-14,29H2,(H,31,33)(H,30,32,34).
What are the key properties of N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide?
N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide has a molecular weight of 452.56 g/mol, XLogP of 5.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide is sourced from PubChem (CID 135869613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).