6-(2-iodophenoxy)-5-propylpyrimidin-4-amine

C13H14IN3O — CID 80875866

IUPAC6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1ccccc1I
InChIInChI=1S/C13H14IN3O/c1-2-5-9-12(15)16-8-17-13(9)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17)
InChIKeyCDQOQLPMVUGMRP-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.41
Rot. Bonds4

About 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine

6-(2-iodophenoxy)-5-propylpyrimidin-4-amine (PubChem CID 80875866) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
PubChem CID80875866
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC Name6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1ccccc1I
InChIInChI=1S/C13H14IN3O/c1-2-5-9-12(15)16-8-17-13(9)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17)
InChIKeyCDQOQLPMVUGMRP-UHFFFAOYSA-N
XLogP3.41
TPSA61.03 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705
5-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874684
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propylpyrimidin-4-amine
CID 103176311
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
CID 107087736
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine
CID 82825781
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
3-(2-iodophenoxy)pyrazin-2-amine
CID 102988008

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine (CID 80875866) is 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Oc1ccccc1I.
What is the InChIKey of 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine?
The InChIKey is CDQOQLPMVUGMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-2-5-9-12(15)16-8-17-13(9)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17).
What are the key properties of 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine?
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine has a molecular weight of 355.18 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodophenoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80875866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).