4-(3-iodophenoxy)-N-propylpyrimidin-2-amine

C13H14IN3O — CID 80881871

IUPAC4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cccc(I)c2)n1
InChIInChI=1S/C13H14IN3O/c1-2-7-15-13-16-8-6-12(17-13)18-11-5-3-4-10(14)9-11/h3-6,8-9H,2,7H2,1H3,(H,15,16,17)
InChIKeySGXGCIVXTONUBP-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.70
Rot. Bonds5

About 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine

4-(3-iodophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80881871) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
PubChem CID80881871
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC Name4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cccc(I)c2)n1
InChIInChI=1S/C13H14IN3O/c1-2-7-15-13-16-8-6-12(17-13)18-11-5-3-4-10(14)9-11/h3-6,8-9H,2,7H2,1H3,(H,15,16,17)
InChIKeySGXGCIVXTONUBP-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.70
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

4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881036
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806272
4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propylpyrimidin-2-amine
CID 81346031
4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine
CID 82825921
4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80860263

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine (CID 80881871) is 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine is CCCNc1nccc(Oc2cccc(I)c2)n1.
What is the InChIKey of 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is SGXGCIVXTONUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-2-7-15-13-16-8-6-12(17-13)18-11-5-3-4-10(14)9-11/h3-6,8-9H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine?
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 355.18 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80881871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).