5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine

C12H12BrF2N5 — CID 80918985

IUPAC5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12BrF2N5/c13-10-6-18-12(20-16)19-11(10)17-2-1-7-3-8(14)5-9(15)4-7/h3-6H,1-2,16H2,(H2,17,18,19,20)
InChIKeyCMAPBOZFYCOCDY-UHFFFAOYSA-N
MW344.16 g/mol
LogP2.46
Rot. Bonds5

About 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine

5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80918985) has the molecular formula C12H12BrF2N5 and a molecular weight of 344.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80918985
Molecular FormulaC12H12BrF2N5
Molecular Weight344.16 g/mol
Exact Mass343.02
IUPAC Name5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12BrF2N5/c13-10-6-18-12(20-16)19-11(10)17-2-1-7-3-8(14)5-9(15)4-7/h3-6H,1-2,16H2,(H2,17,18,19,20)
InChIKeyCMAPBOZFYCOCDY-UHFFFAOYSA-N
XLogP2.46
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80919063
5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80803729
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80908067
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
CID 55093624
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503
N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 80918989
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
CID 106241957
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
5-bromo-4-N-[2-(4-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80794844

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine (CID 80918985) is 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Br)c(NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is CMAPBOZFYCOCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2N5/c13-10-6-18-12(20-16)19-11(10)17-2-1-7-3-8(14)5-9(15)4-7/h3-6H,1-2,16H2,(H2,17,18,19,20).
What are the key properties of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 344.16 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80918985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).