4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine

C12H14Cl2N6 — CID 80932264

IUPAC4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESCC(Nc1cc(NN)nc(N)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N6/c1-6(8-3-2-7(13)4-9(8)14)17-10-5-11(20-16)19-12(15)18-10/h2-6H,16H2,1H3,(H4,15,17,18,19,20)
InChIKeyYWUHALMEFLMLNV-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.82
Rot. Bonds4

About 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine

4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80932264) has the molecular formula C12H14Cl2N6 and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80932264
Molecular FormulaC12H14Cl2N6
Molecular Weight313.19 g/mol
Exact Mass312.07
IUPAC Name4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESCC(Nc1cc(NN)nc(N)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N6/c1-6(8-3-2-7(13)4-9(8)14)17-10-5-11(20-16)19-12(15)18-10/h2-6H,16H2,1H3,(H4,15,17,18,19,20)
InChIKeyYWUHALMEFLMLNV-UHFFFAOYSA-N
XLogP2.82
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.82
H-Bond Donors ≤ 54
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 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine 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

6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 164838647
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 63961093
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61312514
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43306407

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine (CID 80932264) is 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine is CC(Nc1cc(NN)nc(N)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is YWUHALMEFLMLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N6/c1-6(8-3-2-7(13)4-9(8)14)17-10-5-11(20-16)19-12(15)18-10/h2-6H,16H2,1H3,(H4,15,17,18,19,20).
What are the key properties of 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine?
4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 313.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80932264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).