4-(4-iodophenoxy)-5-methylpyrimidin-2-amine

C11H10IN3O — CID 80881028

IUPAC4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1Oc1ccc(I)cc1
InChIInChI=1S/C11H10IN3O/c1-7-6-14-11(13)15-10(7)16-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyWZFGDQBHHMPGHJ-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.76
Rot. Bonds2

About 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine

4-(4-iodophenoxy)-5-methylpyrimidin-2-amine (PubChem CID 80881028) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
PubChem CID80881028
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1Oc1ccc(I)cc1
InChIInChI=1S/C11H10IN3O/c1-7-6-14-11(13)15-10(7)16-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyWZFGDQBHHMPGHJ-UHFFFAOYSA-N
XLogP2.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.76
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-(4-iodophenoxy)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine (CID 80881028) is 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1Oc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine?
The InChIKey is WZFGDQBHHMPGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c1-7-6-14-11(13)15-10(7)16-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine?
4-(4-iodophenoxy)-5-methylpyrimidin-2-amine has a molecular weight of 327.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80881028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).