5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine

C11H18IN3O2 — CID 66301389

IUPAC5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(CCCOC)nc(COC)c1I
InChIInChI=1S/C11H18IN3O2/c1-13-11-10(12)8(7-17-3)14-9(15-11)5-4-6-16-2/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyTYZMZKWQKHDMAD-UHFFFAOYSA-N
MW351.19 g/mol
LogP1.85
Rot. Bonds7

About 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine

5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine (PubChem CID 66301389) has the molecular formula C11H18IN3O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
PubChem CID66301389
Molecular FormulaC11H18IN3O2
Molecular Weight351.19 g/mol
Exact Mass351.04
IUPAC Name5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(CCCOC)nc(COC)c1I
InChIInChI=1S/C11H18IN3O2/c1-13-11-10(12)8(7-17-3)14-9(15-11)5-4-6-16-2/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyTYZMZKWQKHDMAD-UHFFFAOYSA-N
XLogP1.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine (CID 66301389) is 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine is CNc1nc(CCCOC)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The InChIKey is TYZMZKWQKHDMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O2/c1-13-11-10(12)8(7-17-3)14-9(15-11)5-4-6-16-2/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine has a molecular weight of 351.19 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66301389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).