2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C13H12Cl2IN3O — CID 66297973

IUPAC2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2Cl)nc(COC)c1I
InChIInChI=1S/C13H12Cl2IN3O/c1-17-13-11(16)10(6-20-2)18-12(19-13)8-4-3-7(14)5-9(8)15/h3-5H,6H2,1-2H3,(H,17,18,19)
InChIKeySOQMICZSXUALRG-UHFFFAOYSA-N
MW424.07 g/mol
LogP4.24
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66297973) has the molecular formula C13H12Cl2IN3O and a molecular weight of 424.07 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66297973
Molecular FormulaC13H12Cl2IN3O
Molecular Weight424.07 g/mol
Exact Mass422.94
IUPAC Name2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2Cl)nc(COC)c1I
InChIInChI=1S/C13H12Cl2IN3O/c1-17-13-11(16)10(6-20-2)18-12(19-13)8-4-3-7(14)5-9(8)15/h3-5H,6H2,1-2H3,(H,17,18,19)
InChIKeySOQMICZSXUALRG-UHFFFAOYSA-N
XLogP4.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.07
LogP ≤ 54.24
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-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66297973) is 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ccc(Cl)cc2Cl)nc(COC)c1I.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is SOQMICZSXUALRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2IN3O/c1-17-13-11(16)10(6-20-2)18-12(19-13)8-4-3-7(14)5-9(8)15/h3-5H,6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 424.07 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66297973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).