N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H8ClF3IN5 — CID 107639573

IUPACN-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2ccc(Cl)cc2I)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3IN5/c12-5-1-2-7(6(16)3-5)18-8-4-9(21-17)20-10(19-8)11(13,14)15/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyGTVGQIUFUVAXBF-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.78
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107639573) has the molecular formula C11H8ClF3IN5 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107639573
Molecular FormulaC11H8ClF3IN5
Molecular Weight429.57 g/mol
Exact Mass428.95
IUPAC NameN-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2ccc(Cl)cc2I)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3IN5/c12-5-1-2-7(6(16)3-5)18-8-4-9(21-17)20-10(19-8)11(13,14)15/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyGTVGQIUFUVAXBF-UHFFFAOYSA-N
XLogP3.78
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775940
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720564
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775922
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
4-N-(5-chloro-2-methylphenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769943
N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775897
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 107639573) is N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is NNc1cc(Nc2ccc(Cl)cc2I)nc(C(F)(F)F)n1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GTVGQIUFUVAXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3IN5/c12-5-1-2-7(6(16)3-5)18-8-4-9(21-17)20-10(19-8)11(13,14)15/h1-4H,17H2,(H2,18,19,20,21).
What are the key properties of N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 429.57 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107639573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).