4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline

C13H10BrN5 — CID 66319292

IUPAC4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline
SMILESNc1ccc(-c2nccn2-c2ncncc2Br)cc1
InChIInChI=1S/C13H10BrN5/c14-11-7-16-8-18-13(11)19-6-5-17-12(19)9-1-3-10(15)4-2-9/h1-8H,15H2
InChIKeyIGHRCXPWKRUANQ-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.67
Rot. Bonds2

About 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline

4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline (PubChem CID 66319292) has the molecular formula C13H10BrN5 and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline
PubChem CID66319292
Molecular FormulaC13H10BrN5
Molecular Weight316.16 g/mol
Exact Mass315.01
IUPAC Name4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline
SMILESNc1ccc(-c2nccn2-c2ncncc2Br)cc1
InChIInChI=1S/C13H10BrN5/c14-11-7-16-8-18-13(11)19-6-5-17-12(19)9-1-3-10(15)4-2-9/h1-8H,15H2
InChIKeyIGHRCXPWKRUANQ-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
FR-79620
CID 10421577
2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
3-Phenylimidazo(1,5-a)pyridine
CID 606670
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
[2-(1H-imidazol-1-yl)pyridin-4-yl]methanamine
CID 16782615

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline?
The IUPAC name of 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline (CID 66319292) is 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline.
What is the SMILES notation for 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline?
The canonical SMILES for 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline is Nc1ccc(-c2nccn2-c2ncncc2Br)cc1.
What is the InChIKey of 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline?
The InChIKey is IGHRCXPWKRUANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5/c14-11-7-16-8-18-13(11)19-6-5-17-12(19)9-1-3-10(15)4-2-9/h1-8H,15H2.
What are the key properties of 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline?
4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline has a molecular weight of 316.16 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline is sourced from PubChem (CID 66319292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).