N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine

C13H14IN3O — CID 80881361

IUPACN-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(I)cc2)c1C
InChIInChI=1S/C13H14IN3O/c1-3-15-12-9(2)13(17-8-16-12)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyMZBKYFKCMZYGBZ-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.61
Rot. Bonds4

About N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine

N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80881361) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
PubChem CID80881361
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC NameN-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(I)cc2)c1C
InChIInChI=1S/C13H14IN3O/c1-3-15-12-9(2)13(17-8-16-12)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyMZBKYFKCMZYGBZ-UHFFFAOYSA-N
XLogP3.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 107669579
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80881783
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine (CID 80881361) is N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine is CCNc1ncnc(Oc2ccc(I)cc2)c1C.
What is the InChIKey of N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is MZBKYFKCMZYGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-3-15-12-9(2)13(17-8-16-12)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine?
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 355.18 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80881361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).