N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine

C15H18IN3O — CID 80881870

IUPACN-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Oc1cccc(I)c1
InChIInChI=1S/C15H18IN3O/c1-3-6-13-14(17-4-2)18-10-19-15(13)20-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyRNZJWFBMBHMCIE-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.26
Rot. Bonds6

About N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine

N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine (PubChem CID 80881870) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
PubChem CID80881870
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC NameN-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Oc1cccc(I)c1
InChIInChI=1S/C15H18IN3O/c1-3-6-13-14(17-4-2)18-10-19-15(13)20-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyRNZJWFBMBHMCIE-UHFFFAOYSA-N
XLogP4.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.26
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

3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile
CID 80863215
6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80881783
6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
CID 80763596
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931
6-(3-iodophenoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 80875139
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989119
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine (CID 80881870) is N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Oc1cccc(I)c1.
What is the InChIKey of N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine?
The InChIKey is RNZJWFBMBHMCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-3-6-13-14(17-4-2)18-10-19-15(13)20-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine?
N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine has a molecular weight of 383.23 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80881870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).