6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine

C15H18IN3O — CID 80881869

IUPAC6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2ccc(I)cc2)c1C
InChIInChI=1S/C15H18IN3O/c1-4-9-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(16)6-8-13/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYZMMEAFDJLDQCE-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.31
Rot. Bonds5

About 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine

6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 80881869) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID80881869
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC Name6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2ccc(I)cc2)c1C
InChIInChI=1S/C15H18IN3O/c1-4-9-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(16)6-8-13/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYZMMEAFDJLDQCE-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.31
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

2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865514
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874986
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(2,5-dimethylpyrazol-3-yl)oxy-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 81346792
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 80881869) is 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(Oc2ccc(I)cc2)c1C.
What is the InChIKey of 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is YZMMEAFDJLDQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-4-9-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(16)6-8-13/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 383.23 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80881869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).