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

C11H9F3IN5 — CID 114567408

IUPAC2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(Nc2ccc(I)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3IN5/c12-11(13,14)8-5-9(19-10(18-8)20-16)17-7-3-1-6(15)2-4-7/h1-5H,16H2,(H2,17,18,19,20)
InChIKeyBHGDCKJWOZYVLR-UHFFFAOYSA-N
MW395.13 g/mol
LogP3.13
Rot. Bonds3

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

2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567408) has the molecular formula C11H9F3IN5 and a molecular weight of 395.13 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567408
Molecular FormulaC11H9F3IN5
Molecular Weight395.13 g/mol
Exact Mass394.99
IUPAC Name2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(Nc2ccc(I)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3IN5/c12-11(13,14)8-5-9(19-10(18-8)20-16)17-7-3-1-6(15)2-4-7/h1-5H,16H2,(H2,17,18,19,20)
InChIKeyBHGDCKJWOZYVLR-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'}

Analyze 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567408) is 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine is NNc1nc(Nc2ccc(I)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BHGDCKJWOZYVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3IN5/c12-11(13,14)8-5-9(19-10(18-8)20-16)17-7-3-1-6(15)2-4-7/h1-5H,16H2,(H2,17,18,19,20).
What are the key properties of 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-hydrazinyl-N-(4-iodophenyl)-6-(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 2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).