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

C10H8BrF2N5 — CID 107608457

IUPACN-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cc(F)c(Br)cc2F)ncn1
InChIInChI=1S/C10H8BrF2N5/c11-5-1-7(13)8(2-6(5)12)17-9-3-10(18-14)16-4-15-9/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyHAERRRVLLIRPCD-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.55
Rot. Bonds3

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

N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 107608457) has the molecular formula C10H8BrF2N5 and a molecular weight of 316.11 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID107608457
Molecular FormulaC10H8BrF2N5
Molecular Weight316.11 g/mol
Exact Mass314.99
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cc(F)c(Br)cc2F)ncn1
InChIInChI=1S/C10H8BrF2N5/c11-5-1-7(13)8(2-6(5)12)17-9-3-10(18-14)16-4-15-9/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyHAERRRVLLIRPCD-UHFFFAOYSA-N
XLogP2.55
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 80919229
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80930315
N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 81272468
N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
CID 102855667
2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine
CID 107608978
N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 102855651
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80907497
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 107594483
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860
6-hydrazinyl-N-(2-iodophenyl)pyrimidin-4-amine
CID 80926315
N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 103586880

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (CID 107608457) is N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2cc(F)c(Br)cc2F)ncn1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is HAERRRVLLIRPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N5/c11-5-1-7(13)8(2-6(5)12)17-9-3-10(18-14)16-4-15-9/h1-4H,14H2,(H2,15,16,17,18).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 316.11 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 107608457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).