N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

C12H13BrClN5 — CID 103482018

IUPACN-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H13BrClN5/c1-2-7-11(16-6-17-12(7)19-15)18-9-5-3-4-8(14)10(9)13/h3-6H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyHBFOYALPDYHWNP-UHFFFAOYSA-N
MW342.63 g/mol
LogP3.48
Rot. Bonds4

About N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 103482018) has the molecular formula C12H13BrClN5 and a molecular weight of 342.63 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID103482018
Molecular FormulaC12H13BrClN5
Molecular Weight342.63 g/mol
Exact Mass341.00
IUPAC NameN-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H13BrClN5/c1-2-7-11(16-6-17-12(7)19-15)18-9-5-3-4-8(14)10(9)13/h3-6H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyHBFOYALPDYHWNP-UHFFFAOYSA-N
XLogP3.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 53.48
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-(2-bromo-3-chlorophenyl)-5-ethyl-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-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80927392
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107604941
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
4-N-(2-bromo-3-chlorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 103481929
3-(2-bromo-3-chloroanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 103479532
4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 103481875
5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80927591
(3-chloro-2-ethylphenyl)hydrazine
CID 67877946

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (CID 103482018) is N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1c(NN)ncnc1Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is HBFOYALPDYHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN5/c1-2-7-11(16-6-17-12(7)19-15)18-9-5-3-4-8(14)10(9)13/h3-6H,2,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 342.63 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 103482018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).