4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide

C24H19BrN4O — CID 53108676

IUPAC4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C24H19BrN4O/c25-21-7-4-8-22(13-21)29-23(30)19-11-9-18(10-12-19)20-15-27-24(28-16-20)26-14-17-5-2-1-3-6-17/h1-13,15-16H,14H2,(H,29,30)(H,26,27,28)
InChIKeyUOVQNOGOAZYNTB-UHFFFAOYSA-N
MW459.35 g/mol
LogP5.77
Rot. Bonds6

About 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide

4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide (PubChem CID 53108676) has the molecular formula C24H19BrN4O and a molecular weight of 459.35 g/mol. Its IUPAC name is 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide.

Molecular Properties

Compound Name4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
PubChem CID53108676
Molecular FormulaC24H19BrN4O
Molecular Weight459.35 g/mol
Exact Mass458.07
IUPAC Name4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C24H19BrN4O/c25-21-7-4-8-22(13-21)29-23(30)19-11-9-18(10-12-19)20-15-27-24(28-16-20)26-14-17-5-2-1-3-6-17/h1-13,15-16H,14H2,(H,29,30)(H,26,27,28)
InChIKeyUOVQNOGOAZYNTB-UHFFFAOYSA-N
XLogP5.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
CID 53108666
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109253002
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide?
The IUPAC name of 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide (CID 53108676) is 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide.
What is the SMILES notation for 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide?
The canonical SMILES for 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide is O=C(Nc1cccc(Br)c1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1.
What is the InChIKey of 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide?
The InChIKey is UOVQNOGOAZYNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O/c25-21-7-4-8-22(13-21)29-23(30)19-11-9-18(10-12-19)20-15-27-24(28-16-20)26-14-17-5-2-1-3-6-17/h1-13,15-16H,14H2,(H,29,30)(H,26,27,28).
What are the key properties of 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide?
4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide has a molecular weight of 459.35 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide is sourced from PubChem (CID 53108676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).