N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C19H17BrN4O — CID 108807886

IUPACN-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3Br)cc2)n1
InChIInChI=1S/C19H17BrN4O/c1-12-11-13(2)22-19(21-12)23-15-9-7-14(8-10-15)18(25)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyUFWGQKBHGBVMDY-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

About N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 108807886) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID108807886
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3Br)cc2)n1
InChIInChI=1S/C19H17BrN4O/c1-12-11-13(2)22-19(21-12)23-15-9-7-14(8-10-15)18(25)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyUFWGQKBHGBVMDY-UHFFFAOYSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoic acid
CID 108807939
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-nitrophenyl)benzamide
CID 108796487
N-(4-benzamido-2,5-dimethoxyphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796630
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
CID 108796510
3-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methylbenzoic acid
CID 108807870
N-(2,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780189
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108765885
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 108807886) is N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3Br)cc2)n1.
What is the InChIKey of N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is UFWGQKBHGBVMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-11-13(2)22-19(21-12)23-15-9-7-14(8-10-15)18(25)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 397.28 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 108807886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).