N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine

C12H9BrClN5 — CID 171618349

IUPACN-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine
SMILESCc1[nH]nc2ccc(Nc3nc(Cl)ncc3Br)cc12
InChIInChI=1S/C12H9BrClN5/c1-6-8-4-7(2-3-10(8)19-18-6)16-11-9(13)5-15-12(14)17-11/h2-5H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNQCMPFJDRLUVBM-UHFFFAOYSA-N
MW338.60 g/mol
LogP3.82
Rot. Bonds2

About N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine

N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine (PubChem CID 171618349) has the molecular formula C12H9BrClN5 and a molecular weight of 338.60 g/mol. Its IUPAC name is N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine
PubChem CID171618349
Molecular FormulaC12H9BrClN5
Molecular Weight338.60 g/mol
Exact Mass336.97
IUPAC NameN-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine
SMILESCc1[nH]nc2ccc(Nc3nc(Cl)ncc3Br)cc12
InChIInChI=1S/C12H9BrClN5/c1-6-8-4-7(2-3-10(8)19-18-6)16-11-9(13)5-15-12(14)17-11/h2-5H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNQCMPFJDRLUVBM-UHFFFAOYSA-N
XLogP3.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
CID 79076273
5-bromo-2-chloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79076577
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloropyrimidin-4-amine
CID 87338222
N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine
CID 163980188
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine?
The IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine (CID 171618349) is N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine.
What is the SMILES notation for N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine?
The canonical SMILES for N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine is Cc1[nH]nc2ccc(Nc3nc(Cl)ncc3Br)cc12.
What is the InChIKey of N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine?
The InChIKey is NQCMPFJDRLUVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN5/c1-6-8-4-7(2-3-10(8)19-18-6)16-11-9(13)5-15-12(14)17-11/h2-5H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine?
N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine has a molecular weight of 338.60 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine is sourced from PubChem (CID 171618349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).