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

C10H4BrClF2N4O2 — CID 102854565

IUPACN-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C10H4BrClF2N4O2/c11-4-1-7(6(14)2-5(4)13)17-10-8(18(19)20)9(12)15-3-16-10/h1-3H,(H,15,16,17)
InChIKeyBBTUYDSBYKIEEC-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.82
Rot. Bonds3

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

N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine (PubChem CID 102854565) has the molecular formula C10H4BrClF2N4O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
PubChem CID102854565
Molecular FormulaC10H4BrClF2N4O2
Molecular Weight365.52 g/mol
Exact Mass363.92
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C10H4BrClF2N4O2/c11-4-1-7(6(14)2-5(4)13)17-10-8(18(19)20)9(12)15-3-16-10/h1-3H,(H,15,16,17)
InChIKeyBBTUYDSBYKIEEC-UHFFFAOYSA-N
XLogP3.82
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
CID 62101185
6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine
CID 107645593
N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 23477333
N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 114261082
N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 62909641
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 107594461
4-bromo-2-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzonitrile
CID 107800093
6-N-(4-bromo-2-fluorophenyl)-4-N-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22531223
6-N-(4-bromophenyl)-4-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533130
4-N-(2,5-dichlorophenyl)-6-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530862
4-N-(5-bromo-2-fluorophenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80787644
6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-5-nitropyrimidin-4-amine
CID 62100853

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine (CID 102854565) is N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine?
The InChIKey is BBTUYDSBYKIEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClF2N4O2/c11-4-1-7(6(14)2-5(4)13)17-10-8(18(19)20)9(12)15-3-16-10/h1-3H,(H,15,16,17).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine?
N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine has a molecular weight of 365.52 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine is sourced from PubChem (CID 102854565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).