N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine

C10H5BrCl2N4O2 — CID 62909641

IUPACN-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H5BrCl2N4O2/c11-5-1-2-6(12)7(3-5)16-10-8(17(18)19)9(13)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyJMAJFHWUPBFOHB-UHFFFAOYSA-N
MW363.99 g/mol
LogP4.20
Rot. Bonds3

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

N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine (PubChem CID 62909641) has the molecular formula C10H5BrCl2N4O2 and a molecular weight of 363.99 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
PubChem CID62909641
Molecular FormulaC10H5BrCl2N4O2
Molecular Weight363.99 g/mol
Exact Mass361.90
IUPAC NameN-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H5BrCl2N4O2/c11-5-1-2-6(12)7(3-5)16-10-8(17(18)19)9(13)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyJMAJFHWUPBFOHB-UHFFFAOYSA-N
XLogP4.20
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.99
LogP ≤ 54.20
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

4-bromo-2-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzonitrile
CID 107800093
N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 23477333
N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 114261082
6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
CID 62101185
N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 102854565
6-N-(4-bromophenyl)-4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532027
6-N-(2-chlorophenyl)-4-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530775
4-N-(2,5-dichlorophenyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485490
4-bromo-N'-[6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479723
N-(5-bromo-2-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898951
4-N-(5-bromo-2-fluorophenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80787644
4-N-(5-bromo-2-pyridinyl)-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22531303

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine (CID 62909641) is N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The InChIKey is JMAJFHWUPBFOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N4O2/c11-5-1-2-6(12)7(3-5)16-10-8(17(18)19)9(13)14-4-15-10/h1-4H,(H,14,15,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine?
N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine has a molecular weight of 363.99 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine is sourced from PubChem (CID 62909641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).