5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H11F3IN3 — CID 66295542

IUPAC5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2C(F)(F)F)nc(C)c1I
InChIInChI=1S/C13H11F3IN3/c1-7-10(17)12(18-2)20-11(19-7)8-5-3-4-6-9(8)13(14,15)16/h3-6H,1-2H3,(H,18,19,20)
InChIKeyXCNVTQPKYONRNP-UHFFFAOYSA-N
MW393.15 g/mol
LogP4.12
Rot. Bonds2

About 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 66295542) has the molecular formula C13H11F3IN3 and a molecular weight of 393.15 g/mol. Its IUPAC name is 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID66295542
Molecular FormulaC13H11F3IN3
Molecular Weight393.15 g/mol
Exact Mass392.99
IUPAC Name5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2C(F)(F)F)nc(C)c1I
InChIInChI=1S/C13H11F3IN3/c1-7-10(17)12(18-2)20-11(19-7)8-5-3-4-6-9(8)13(14,15)16/h3-6H,1-2H3,(H,18,19,20)
InChIKeyXCNVTQPKYONRNP-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]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 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 66295542) is 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CNc1nc(-c2ccccc2C(F)(F)F)nc(C)c1I.
What is the InChIKey of 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is XCNVTQPKYONRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3IN3/c1-7-10(17)12(18-2)20-11(19-7)8-5-3-4-6-9(8)13(14,15)16/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 393.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66295542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).