5-iodo-N-methylpyrimidin-2-amine

C5H6IN3 — CID 13261511

IUPAC5-iodo-N-methylpyrimidin-2-amine
SMILESCNc1ncc(I)cn1
InChIInChI=1S/C5H6IN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKeyJNEAWFSSFYRAMO-UHFFFAOYSA-N
MW235.03 g/mol
LogP1.12
Rot. Bonds1

About 5-iodo-N-methylpyrimidin-2-amine

5-iodo-N-methylpyrimidin-2-amine (PubChem CID 13261511) has the molecular formula C5H6IN3 and a molecular weight of 235.03 g/mol. Its IUPAC name is 5-iodo-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-methylpyrimidin-2-amine
PubChem CID13261511
Molecular FormulaC5H6IN3
Molecular Weight235.03 g/mol
Exact Mass234.96
IUPAC Name5-iodo-N-methylpyrimidin-2-amine
SMILESCNc1ncc(I)cn1
InChIInChI=1S/C5H6IN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKeyJNEAWFSSFYRAMO-UHFFFAOYSA-N
XLogP1.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 51.12
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-N-methylpyrimidin-2-amine?
The IUPAC name of 5-iodo-N-methylpyrimidin-2-amine (CID 13261511) is 5-iodo-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-methylpyrimidin-2-amine is CNc1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-methylpyrimidin-2-amine?
The InChIKey is JNEAWFSSFYRAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9).
What are the key properties of 5-iodo-N-methylpyrimidin-2-amine?
5-iodo-N-methylpyrimidin-2-amine has a molecular weight of 235.03 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methylpyrimidin-2-amine is sourced from PubChem (CID 13261511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).