4-N-(2-iodophenyl)pyrimidine-4,5-diamine

C10H9IN4 — CID 79918939

IUPAC4-N-(2-iodophenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccccc1I
InChIInChI=1S/C10H9IN4/c11-7-3-1-2-4-9(7)15-10-8(12)5-13-6-14-10/h1-6H,12H2,(H,13,14,15)
InChIKeyTXTSSELYAFETQX-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.41
Rot. Bonds2

About 4-N-(2-iodophenyl)pyrimidine-4,5-diamine

4-N-(2-iodophenyl)pyrimidine-4,5-diamine (PubChem CID 79918939) has the molecular formula C10H9IN4 and a molecular weight of 312.11 g/mol. Its IUPAC name is 4-N-(2-iodophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-iodophenyl)pyrimidine-4,5-diamine
PubChem CID79918939
Molecular FormulaC10H9IN4
Molecular Weight312.11 g/mol
Exact Mass311.99
IUPAC Name4-N-(2-iodophenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccccc1I
InChIInChI=1S/C10H9IN4/c11-7-3-1-2-4-9(7)15-10-8(12)5-13-6-14-10/h1-6H,12H2,(H,13,14,15)
InChIKeyTXTSSELYAFETQX-UHFFFAOYSA-N
XLogP2.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-iodophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-iodophenyl)pyrimidine-4,5-diamine (CID 79918939) is 4-N-(2-iodophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-iodophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-iodophenyl)pyrimidine-4,5-diamine is Nc1cncnc1Nc1ccccc1I.
What is the InChIKey of 4-N-(2-iodophenyl)pyrimidine-4,5-diamine?
The InChIKey is TXTSSELYAFETQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4/c11-7-3-1-2-4-9(7)15-10-8(12)5-13-6-14-10/h1-6H,12H2,(H,13,14,15).
What are the key properties of 4-N-(2-iodophenyl)pyrimidine-4,5-diamine?
4-N-(2-iodophenyl)pyrimidine-4,5-diamine has a molecular weight of 312.11 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-iodophenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).