5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine

C13H15IN4O2 — CID 103348437

IUPAC5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(OC)n2)nc(COC)c1I
InChIInChI=1S/C13H15IN4O2/c1-15-13-11(14)9(7-19-2)17-12(18-13)8-5-4-6-10(16-8)20-3/h4-6H,7H2,1-3H3,(H,15,17,18)
InChIKeyZQLHMNFAZUPURP-UHFFFAOYSA-N
MW386.19 g/mol
LogP2.34
Rot. Bonds5

About 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine

5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine (PubChem CID 103348437) has the molecular formula C13H15IN4O2 and a molecular weight of 386.19 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
PubChem CID103348437
Molecular FormulaC13H15IN4O2
Molecular Weight386.19 g/mol
Exact Mass386.02
IUPAC Name5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(OC)n2)nc(COC)c1I
InChIInChI=1S/C13H15IN4O2/c1-15-13-11(14)9(7-19-2)17-12(18-13)8-5-4-6-10(16-8)20-3/h4-6H,7H2,1-3H3,(H,15,17,18)
InChIKeyZQLHMNFAZUPURP-UHFFFAOYSA-N
XLogP2.34
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 103348431
5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66302829
6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 103348426
5-iodo-6-(methoxymethyl)-N-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66296431
2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 103445159
2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66302004
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297973
2-(1-benzothiophen-3-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66295466
2-(4-fluoro-2-methylphenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 81277426
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66303641

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine (CID 103348437) is 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2cccc(OC)n2)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine?
The InChIKey is ZQLHMNFAZUPURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O2/c1-15-13-11(14)9(7-19-2)17-12(18-13)8-5-4-6-10(16-8)20-3/h4-6H,7H2,1-3H3,(H,15,17,18).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine has a molecular weight of 386.19 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 103348437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).