N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine

C11H12BrN5 — CID 80899114

IUPACN-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nccc(NCc2cccc(Br)c2)n1
InChIInChI=1S/C11H12BrN5/c12-9-3-1-2-8(6-9)7-15-10-4-5-14-11(16-10)17-13/h1-6H,7,13H2,(H2,14,15,16,17)
InChIKeyXSXIGQYDKPOSHN-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.14
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine

N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80899114) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80899114
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC NameN-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nccc(NCc2cccc(Br)c2)n1
InChIInChI=1S/C11H12BrN5/c12-9-3-1-2-8(6-9)7-15-10-4-5-14-11(16-10)17-13/h1-6H,7,13H2,(H2,14,15,16,17)
InChIKeyXSXIGQYDKPOSHN-UHFFFAOYSA-N
XLogP2.14
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.14
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 N-[(3-bromophenyl)methyl]-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

2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80898932
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 106901045
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739
4-N-(3-bromophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891612
2-hydrazinyl-N-(quinolin-8-ylmethyl)pyrimidin-4-amine
CID 81423611
N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312159

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine (CID 80899114) is N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine is NNc1nccc(NCc2cccc(Br)c2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is XSXIGQYDKPOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c12-9-3-1-2-8(6-9)7-15-10-4-5-14-11(16-10)17-13/h1-6H,7,13H2,(H2,14,15,16,17).
What are the key properties of N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 294.16 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80899114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).