N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

C12H13Cl2N5 — CID 80937232

IUPACN-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H13Cl2N5/c1-2-10-17-11(6-12(18-10)19-15)16-9-4-3-7(13)5-8(9)14/h3-6H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyBDQRDLLPEYNTRB-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.38
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80937232) has the molecular formula C12H13Cl2N5 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80937232
Molecular FormulaC12H13Cl2N5
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H13Cl2N5/c1-2-10-17-11(6-12(18-10)19-15)16-9-4-3-7(13)5-8(9)14/h3-6H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyBDQRDLLPEYNTRB-UHFFFAOYSA-N
XLogP3.38
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.38
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-(2,4-dichlorophenyl)-2-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-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80938024
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
4-chloro-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80937547
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103587913
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (CID 80937232) is N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1nc(NN)cc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is BDQRDLLPEYNTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5/c1-2-10-17-11(6-12(18-10)19-15)16-9-4-3-7(13)5-8(9)14/h3-6H,2,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 298.18 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80937232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).