4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine

C10H7ClIN3O — CID 63022073

IUPAC4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Oc1ccc(I)cc1
InChIInChI=1S/C10H7ClIN3O/c11-9-8(13)10(15-5-14-9)16-7-3-1-6(12)2-4-7/h1-5H,13H2
InChIKeyAGBCFYOINAMTNQ-UHFFFAOYSA-N
MW347.54 g/mol
LogP3.11
Rot. Bonds2

About 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine

4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine (PubChem CID 63022073) has the molecular formula C10H7ClIN3O and a molecular weight of 347.54 g/mol. Its IUPAC name is 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine
PubChem CID63022073
Molecular FormulaC10H7ClIN3O
Molecular Weight347.54 g/mol
Exact Mass346.93
IUPAC Name4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Oc1ccc(I)cc1
InChIInChI=1S/C10H7ClIN3O/c11-9-8(13)10(15-5-14-9)16-7-3-1-6(12)2-4-7/h1-5H,13H2
InChIKeyAGBCFYOINAMTNQ-UHFFFAOYSA-N
XLogP3.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
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-chloro-6-(4-iodophenoxy)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine (CID 63022073) is 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine is Nc1c(Cl)ncnc1Oc1ccc(I)cc1.
What is the InChIKey of 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine?
The InChIKey is AGBCFYOINAMTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClIN3O/c11-9-8(13)10(15-5-14-9)16-7-3-1-6(12)2-4-7/h1-5H,13H2.
What are the key properties of 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine?
4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine has a molecular weight of 347.54 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine is sourced from PubChem (CID 63022073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).