5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine

C11H12IN5O — CID 66302829

IUPAC5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccncn2)nc(COC)c1I
InChIInChI=1S/C11H12IN5O/c1-13-11-9(12)8(5-18-2)16-10(17-11)7-3-4-14-6-15-7/h3-4,6H,5H2,1-2H3,(H,13,16,17)
InChIKeyBXUCLQSEDIPKEV-UHFFFAOYSA-N
MW357.16 g/mol
LogP1.73
Rot. Bonds4

About 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine

5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine (PubChem CID 66302829) has the molecular formula C11H12IN5O and a molecular weight of 357.16 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
PubChem CID66302829
Molecular FormulaC11H12IN5O
Molecular Weight357.16 g/mol
Exact Mass357.01
IUPAC Name5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccncn2)nc(COC)c1I
InChIInChI=1S/C11H12IN5O/c1-13-11-9(12)8(5-18-2)16-10(17-11)7-3-4-14-6-15-7/h3-4,6H,5H2,1-2H3,(H,13,16,17)
InChIKeyBXUCLQSEDIPKEV-UHFFFAOYSA-N
XLogP1.73
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine (CID 66302829) is 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine is CNc1nc(-c2ccncn2)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The InChIKey is BXUCLQSEDIPKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN5O/c1-13-11-9(12)8(5-18-2)16-10(17-11)7-3-4-14-6-15-7/h3-4,6H,5H2,1-2H3,(H,13,16,17).
What are the key properties of 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine has a molecular weight of 357.16 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 66302829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).