2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine

C16H11ClIN3 — CID 66294114

IUPAC2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(Cl)cc2)nc(-c2ccccc2)c1I
InChIInChI=1S/C16H11ClIN3/c17-12-8-6-11(7-9-12)16-20-14(13(18)15(19)21-16)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21)
InChIKeyPOCDRLVPQHMLEF-UHFFFAOYSA-N
MW407.64 g/mol
LogP4.65
Rot. Bonds2

About 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine

2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine (PubChem CID 66294114) has the molecular formula C16H11ClIN3 and a molecular weight of 407.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
PubChem CID66294114
Molecular FormulaC16H11ClIN3
Molecular Weight407.64 g/mol
Exact Mass406.97
IUPAC Name2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(Cl)cc2)nc(-c2ccccc2)c1I
InChIInChI=1S/C16H11ClIN3/c17-12-8-6-11(7-9-12)16-20-14(13(18)15(19)21-16)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21)
InChIKeyPOCDRLVPQHMLEF-UHFFFAOYSA-N
XLogP4.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.64
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-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-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine (CID 66294114) is 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine is Nc1nc(-c2ccc(Cl)cc2)nc(-c2ccccc2)c1I.
What is the InChIKey of 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine?
The InChIKey is POCDRLVPQHMLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClIN3/c17-12-8-6-11(7-9-12)16-20-14(13(18)15(19)21-16)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21).
What are the key properties of 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine?
2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine has a molecular weight of 407.64 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66294114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).