N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine

C22H18IN4P — CID 4581561

IUPACN-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine
SMILESIc1ccc(N=P(Nc2ncccn2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18IN4P/c23-18-12-14-19(15-13-18)26-28(20-8-3-1-4-9-20,21-10-5-2-6-11-21)27-22-24-16-7-17-25-22/h1-17H,(H,24,25,27)
InChIKeyBOHGAWFUAHAJDJ-UHFFFAOYSA-N
MW496.29 g/mol
LogP5.59
Rot. Bonds5

About N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine

N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine (PubChem CID 4581561) has the molecular formula C22H18IN4P and a molecular weight of 496.29 g/mol. Its IUPAC name is N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine
PubChem CID4581561
Molecular FormulaC22H18IN4P
Molecular Weight496.29 g/mol
Exact Mass496.03
IUPAC NameN-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine
SMILESIc1ccc(N=P(Nc2ncccn2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18IN4P/c23-18-12-14-19(15-13-18)26-28(20-8-3-1-4-9-20,21-10-5-2-6-11-21)27-22-24-16-7-17-25-22/h1-17H,(H,24,25,27)
InChIKeyBOHGAWFUAHAJDJ-UHFFFAOYSA-N
XLogP5.59
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.29
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-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 N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine?
The IUPAC name of N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine (CID 4581561) is N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine?
The canonical SMILES for N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine is Ic1ccc(N=P(Nc2ncccn2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine?
The InChIKey is BOHGAWFUAHAJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18IN4P/c23-18-12-14-19(15-13-18)26-28(20-8-3-1-4-9-20,21-10-5-2-6-11-21)27-22-24-16-7-17-25-22/h1-17H,(H,24,25,27).
What are the key properties of N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine?
N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine has a molecular weight of 496.29 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine is sourced from PubChem (CID 4581561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).