5-(iodomethyl)pyrimidin-2-amine

C5H6IN3 — CID 163601218

IUPAC5-(iodomethyl)pyrimidin-2-amine
SMILESNc1ncc(CI)cn1
InChIInChI=1S/C5H6IN3/c6-1-4-2-8-5(7)9-3-4/h2-3H,1H2,(H2,7,8,9)
InChIKeyGXVASZCNDAYUMQ-UHFFFAOYSA-N
MW235.03 g/mol
LogP0.99
Rot. Bonds1

About 5-(iodomethyl)pyrimidin-2-amine

5-(iodomethyl)pyrimidin-2-amine (PubChem CID 163601218) has the molecular formula C5H6IN3 and a molecular weight of 235.03 g/mol. Its IUPAC name is 5-(iodomethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(iodomethyl)pyrimidin-2-amine
PubChem CID163601218
Molecular FormulaC5H6IN3
Molecular Weight235.03 g/mol
Exact Mass234.96
IUPAC Name5-(iodomethyl)pyrimidin-2-amine
SMILESNc1ncc(CI)cn1
InChIInChI=1S/C5H6IN3/c6-1-4-2-8-5(7)9-3-4/h2-3H,1H2,(H2,7,8,9)
InChIKeyGXVASZCNDAYUMQ-UHFFFAOYSA-N
XLogP0.99
TPSA51.80 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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)pyrimidin-2-amine?
The IUPAC name of 5-(iodomethyl)pyrimidin-2-amine (CID 163601218) is 5-(iodomethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(iodomethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(iodomethyl)pyrimidin-2-amine is Nc1ncc(CI)cn1.
What is the InChIKey of 5-(iodomethyl)pyrimidin-2-amine?
The InChIKey is GXVASZCNDAYUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3/c6-1-4-2-8-5(7)9-3-4/h2-3H,1H2,(H2,7,8,9).
What are the key properties of 5-(iodomethyl)pyrimidin-2-amine?
5-(iodomethyl)pyrimidin-2-amine has a molecular weight of 235.03 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)pyrimidin-2-amine is sourced from PubChem (CID 163601218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).