5-iodo-6-methylpyrimidin-4-amine

C5H6IN3 — CID 616548

IUPAC5-iodo-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1I
InChIInChI=1S/C5H6IN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9)
InChIKeySRJWVTJTDKPYHH-UHFFFAOYSA-N
MW235.03 g/mol
LogP0.97
Rot. Bonds

About 5-iodo-6-methylpyrimidin-4-amine

5-iodo-6-methylpyrimidin-4-amine (PubChem CID 616548) has the molecular formula C5H6IN3 and a molecular weight of 235.03 g/mol. Its IUPAC name is 5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methylpyrimidin-4-amine
PubChem CID616548
Molecular FormulaC5H6IN3
Molecular Weight235.03 g/mol
Exact Mass234.96
IUPAC Name5-iodo-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1I
InChIInChI=1S/C5H6IN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9)
InChIKeySRJWVTJTDKPYHH-UHFFFAOYSA-N
XLogP0.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methylpyrimidin-4-amine (CID 616548) is 5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methylpyrimidin-4-amine is Cc1ncnc(N)c1I.
What is the InChIKey of 5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is SRJWVTJTDKPYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9).
What are the key properties of 5-iodo-6-methylpyrimidin-4-amine?
5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 235.03 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 616548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).