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

C10H5BrClIN4O2 — CID 114261082

IUPACN-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1cc(I)ccc1Br
InChIInChI=1S/C10H5BrClIN4O2/c11-6-2-1-5(13)3-7(6)16-10-8(17(18)19)9(12)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyXVTXRHSCOILDEP-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.15
Rot. Bonds3

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

N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine (PubChem CID 114261082) has the molecular formula C10H5BrClIN4O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine
PubChem CID114261082
Molecular FormulaC10H5BrClIN4O2
Molecular Weight455.44 g/mol
Exact Mass453.83
IUPAC NameN-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1cc(I)ccc1Br
InChIInChI=1S/C10H5BrClIN4O2/c11-6-2-1-5(13)3-7(6)16-10-8(17(18)19)9(12)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyXVTXRHSCOILDEP-UHFFFAOYSA-N
XLogP4.15
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 23477333
N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 62909641
N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 102854565
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-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-5-nitropyrimidin-4-amine
CID 62100853
4-N-(2,4-dichlorophenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533172
6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine
CID 107645593
6-chloro-N-(3,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62101180
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107617966
6-N-(2-bromophenyl)-4-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23485710
6-chloro-N-(3-ethylphenyl)-5-nitropyrimidin-4-amine
CID 62101847

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine (CID 114261082) is N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(I)ccc1Br.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The InChIKey is XVTXRHSCOILDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClIN4O2/c11-6-2-1-5(13)3-7(6)16-10-8(17(18)19)9(12)14-4-15-10/h1-4H,(H,14,15,16).
What are the key properties of N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine?
N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine has a molecular weight of 455.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114261082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).