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

C13H12BrF2N5 — CID 102855651

IUPACN-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cc(Br)c(F)cc2F)nc(C2CC2)n1
InChIInChI=1S/C13H12BrF2N5/c14-7-3-10(9(16)4-8(7)15)18-11-5-12(21-17)20-13(19-11)6-1-2-6/h3-6H,1-2,17H2,(H2,18,19,20,21)
InChIKeyGUYIPDUWTQVOAL-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.42
Rot. Bonds4

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

N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 102855651) has the molecular formula C13H12BrF2N5 and a molecular weight of 356.17 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
PubChem CID102855651
Molecular FormulaC13H12BrF2N5
Molecular Weight356.17 g/mol
Exact Mass355.02
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cc(Br)c(F)cc2F)nc(C2CC2)n1
InChIInChI=1S/C13H12BrF2N5/c14-7-3-10(9(16)4-8(7)15)18-11-5-12(21-17)20-13(19-11)6-1-2-6/h3-6H,1-2,17H2,(H2,18,19,20,21)
InChIKeyGUYIPDUWTQVOAL-UHFFFAOYSA-N
XLogP3.42
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.42
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'}

Analyze N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-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-(5-bromo-2,4-difluorophenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 102854536
2-cyclopropyl-N-(2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969096
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 80969109
N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
CID 102855667
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 107594483
N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 107608457
2-cyclopropyl-N-(2,5-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968268
2-cyclopropyl-6-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80964846
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (CID 102855651) is N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2cc(Br)c(F)cc2F)nc(C2CC2)n1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is GUYIPDUWTQVOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N5/c14-7-3-10(9(16)4-8(7)15)18-11-5-12(21-17)20-13(19-11)6-1-2-6/h3-6H,1-2,17H2,(H2,18,19,20,21).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 356.17 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 102855651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).