N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine

C10H6BrClN4O2 — CID 23477333

IUPACN-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1ccccc1Br
InChIInChI=1S/C10H6BrClN4O2/c11-6-3-1-2-4-7(6)15-10-8(16(17)18)9(12)13-5-14-10/h1-5H,(H,13,14,15)
InChIKeyFLBGSYRGPAZFAL-UHFFFAOYSA-N
MW329.54 g/mol
LogP3.54
Rot. Bonds3

About N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine

N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine (PubChem CID 23477333) has the molecular formula C10H6BrClN4O2 and a molecular weight of 329.54 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
PubChem CID23477333
Molecular FormulaC10H6BrClN4O2
Molecular Weight329.54 g/mol
Exact Mass327.94
IUPAC NameN-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1ccccc1Br
InChIInChI=1S/C10H6BrClN4O2/c11-6-3-1-2-4-7(6)15-10-8(16(17)18)9(12)13-5-14-10/h1-5H,(H,13,14,15)
InChIKeyFLBGSYRGPAZFAL-UHFFFAOYSA-N
XLogP3.54
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 114261082
4-N-(2-bromophenyl)-6-N-(4-bromophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532146
4-N-(2-bromophenyl)-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482676
N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 62909641
6-N-(2-bromophenyl)-4-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23485710
6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-5-nitropyrimidin-4-amine
CID 62100853
N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 102854565
6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23480397
6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
CID 62101185
4-bromo-2-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzonitrile
CID 107800093
6-N-(4-bromophenyl)-4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532027
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine (CID 23477333) is N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Cl)ncnc1Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The InChIKey is FLBGSYRGPAZFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN4O2/c11-6-3-1-2-4-7(6)15-10-8(16(17)18)9(12)13-5-14-10/h1-5H,(H,13,14,15).
What are the key properties of N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine?
N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine has a molecular weight of 329.54 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23477333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).