2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

C12H20IN3O — CID 66305995

IUPAC2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(COCC)nc(NCC)c1I
InChIInChI=1S/C12H20IN3O/c1-4-7-9-11(13)12(14-5-2)16-10(15-9)8-17-6-3/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyFNOWRLJQXFGTQH-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.00
Rot. Bonds7

About 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66305995) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66305995
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(COCC)nc(NCC)c1I
InChIInChI=1S/C12H20IN3O/c1-4-7-9-11(13)12(14-5-2)16-10(15-9)8-17-6-3/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyFNOWRLJQXFGTQH-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (CID 66305995) is 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(COCC)nc(NCC)c1I.
What is the InChIKey of 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is FNOWRLJQXFGTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O/c1-4-7-9-11(13)12(14-5-2)16-10(15-9)8-17-6-3/h4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 349.22 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).