6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

C16H15IN6 — CID 22545196

IUPAC6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccnc(Nc2ncnc(Nc3ccc(I)cc3)c2N)c1
InChIInChI=1S/C16H15IN6/c1-10-6-7-19-13(8-10)23-16-14(18)15(20-9-21-16)22-12-4-2-11(17)3-5-12/h2-9H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyQGOQQUKAOMZJDP-UHFFFAOYSA-N
MW418.24 g/mol
LogP3.85
Rot. Bonds4

About 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22545196) has the molecular formula C16H15IN6 and a molecular weight of 418.24 g/mol. Its IUPAC name is 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22545196
Molecular FormulaC16H15IN6
Molecular Weight418.24 g/mol
Exact Mass418.04
IUPAC Name6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccnc(Nc2ncnc(Nc3ccc(I)cc3)c2N)c1
InChIInChI=1S/C16H15IN6/c1-10-6-7-19-13(8-10)23-16-14(18)15(20-9-21-16)22-12-4-2-11(17)3-5-12/h2-9H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyQGOQQUKAOMZJDP-UHFFFAOYSA-N
XLogP3.85
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.24
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine 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 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22545196) is 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1ccnc(Nc2ncnc(Nc3ccc(I)cc3)c2N)c1.
What is the InChIKey of 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is QGOQQUKAOMZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN6/c1-10-6-7-19-13(8-10)23-16-14(18)15(20-9-21-16)22-12-4-2-11(17)3-5-12/h2-9H,18H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 418.24 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).