N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine

C11H12BrN5O — CID 82861467

IUPACN-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(Nc2ccnc(NN)n2)ccc1Br
InChIInChI=1S/C11H12BrN5O/c1-18-9-6-7(2-3-8(9)12)15-10-4-5-14-11(16-10)17-13/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyOQUYWRFOUJZOKN-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.28
Rot. Bonds4

About N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine

N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 82861467) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID82861467
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC NameN-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(Nc2ccnc(NN)n2)ccc1Br
InChIInChI=1S/C11H12BrN5O/c1-18-9-6-7(2-3-8(9)12)15-10-4-5-14-11(16-10)17-13/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyOQUYWRFOUJZOKN-UHFFFAOYSA-N
XLogP2.28
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-bromo-3-methoxyphenyl)-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

4-N-(4-bromo-3-methylphenyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904604
N-(4-bromo-3-methoxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133340861
(4-bromo-3-methoxyphenyl)hydrazine
CID 54372982
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80926961
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
N-(3-ethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80905017
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313
2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 174734138
2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908069

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine (CID 82861467) is N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine is COc1cc(Nc2ccnc(NN)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is OQUYWRFOUJZOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-18-9-6-7(2-3-8(9)12)15-10-4-5-14-11(16-10)17-13/h2-6H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 310.16 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 82861467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).