6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine

C14H16IN3O — CID 80881783

IUPAC6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Oc1ccc(I)cc1
InChIInChI=1S/C14H16IN3O/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyIBEMNOYWRLUKIE-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.87
Rot. Bonds5

About 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine

6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80881783) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80881783
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Oc1ccc(I)cc1
InChIInChI=1S/C14H16IN3O/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyIBEMNOYWRLUKIE-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.87
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

6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80881870
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile
CID 80863215
6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80845675
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80860005
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine (CID 80881783) is 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1Oc1ccc(I)cc1.
What is the InChIKey of 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is IBEMNOYWRLUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine?
6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 369.21 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80881783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).