5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine

C11H8Cl2F3N5 — CID 80911957

IUPAC5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C11H8Cl2F3N5/c12-5-1-2-8(6(3-5)11(14,15)16)19-9-7(13)4-18-10(20-9)21-17/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyAYRYZMATJMMSKT-UHFFFAOYSA-N
MW338.12 g/mol
LogP3.83
Rot. Bonds3

About 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine

5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80911957) has the molecular formula C11H8Cl2F3N5 and a molecular weight of 338.12 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80911957
Molecular FormulaC11H8Cl2F3N5
Molecular Weight338.12 g/mol
Exact Mass337.01
IUPAC Name5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C11H8Cl2F3N5/c12-5-1-2-8(6(3-5)11(14,15)16)19-9-7(13)4-18-10(20-9)21-17/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyAYRYZMATJMMSKT-UHFFFAOYSA-N
XLogP3.83
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 53.83
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'}

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Related Compounds

5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79076572
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 79916848
5-chloro-N-(2,4-dibromophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80896859
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630
N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
CID 80927953
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
5-chloro-N-(2,6-dichloro-4-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 83082007
5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 80930813
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80768561
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine (CID 80911957) is 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Cl)c(Nc2ccc(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is AYRYZMATJMMSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N5/c12-5-1-2-8(6(3-5)11(14,15)16)19-9-7(13)4-18-10(20-9)21-17/h1-4H,17H2,(H2,18,19,20,21).
What are the key properties of 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 338.12 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80911957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).