N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide

C17H18BrN7O — CID 10364570

IUPACN-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1
InChIInChI=1S/C17H18BrN7O/c1-11(26)23-12-3-2-4-13(7-12)24-17-21-9-15(18)16(25-17)20-6-5-14-8-19-10-22-14/h2-4,7-10H,5-6H2,1H3,(H,19,22)(H,23,26)(H2,20,21,24,25)
InChIKeyUAOMIRSAAQQCDC-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.32
Rot. Bonds7

About N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide

N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 10364570) has the molecular formula C17H18BrN7O and a molecular weight of 416.28 g/mol. Its IUPAC name is N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID10364570
Molecular FormulaC17H18BrN7O
Molecular Weight416.28 g/mol
Exact Mass415.08
IUPAC NameN-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1
InChIInChI=1S/C17H18BrN7O/c1-11(26)23-12-3-2-4-13(7-12)24-17-21-9-15(18)16(25-17)20-6-5-14-8-19-10-22-14/h2-4,7-10H,5-6H2,1H3,(H,19,22)(H,23,26)(H2,20,21,24,25)
InChIKeyUAOMIRSAAQQCDC-UHFFFAOYSA-N
XLogP3.32
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]anilino]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanol
CID 142900396
1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea
CID 142900468
CID 89198507
CID 89198507
5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 141089686
CID 89198453
CID 89198453
2-N-[3-amino-5-(trifluoromethyl)phenyl]-5-bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 10003454
3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propanoic acid
CID 68819718
(2S)-N-[3-[[5-bromo-4-(propylamino)pyrimidin-2-yl]amino]phenyl]pyrrolidine-2-carboxamide
CID 173212562
N-[2-[[2-(3-acetamidoanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 21081200
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
1-[3-[[5-bromo-4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]amino]phenyl]-3-pentylurea
CID 142900549
3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68621888

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide (CID 10364570) is N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1.
What is the InChIKey of N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is UAOMIRSAAQQCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN7O/c1-11(26)23-12-3-2-4-13(7-12)24-17-21-9-15(18)16(25-17)20-6-5-14-8-19-10-22-14/h2-4,7-10H,5-6H2,1H3,(H,19,22)(H,23,26)(H2,20,21,24,25).
What are the key properties of N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 416.28 g/mol, XLogP of 3.32, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 10364570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).