6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H9F3IN5 — CID 106775922

IUPAC6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2cccc(I)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3IN5/c12-11(13,14)10-18-8(5-9(19-10)20-16)17-7-3-1-2-6(15)4-7/h1-5H,16H2,(H2,17,18,19,20)
InChIKeyHZARSPMIUTUCAM-UHFFFAOYSA-N
MW395.13 g/mol
LogP3.13
Rot. Bonds3

About 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775922) has the molecular formula C11H9F3IN5 and a molecular weight of 395.13 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775922
Molecular FormulaC11H9F3IN5
Molecular Weight395.13 g/mol
Exact Mass394.99
IUPAC Name6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2cccc(I)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3IN5/c12-11(13,14)10-18-8(5-9(19-10)20-16)17-7-3-1-2-6(15)4-7/h1-5H,16H2,(H2,17,18,19,20)
InChIKeyHZARSPMIUTUCAM-UHFFFAOYSA-N
XLogP3.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.13
LogP ≤ 53.13
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

4-N-(3-iodophenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770063
N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775897
N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107639573
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775940
4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772648
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80969827
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
CID 80927048
4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine
CID 114053114
3,5-dichloro-6-hydrazinyl-N-(3-iodophenyl)pyridin-2-amine
CID 102762322
6-hydrazinyl-N-(2-methylcyclopropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775639

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775922) is 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine is NNc1cc(Nc2cccc(I)c2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HZARSPMIUTUCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3IN5/c12-11(13,14)10-18-8(5-9(19-10)20-16)17-7-3-1-2-6(15)4-7/h1-5H,16H2,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 395.13 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).