5-iodo-N,N-dimethylpyrimidin-2-amine

C6H8IN3 — CID 25148249

IUPAC5-iodo-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(I)cn1
InChIInChI=1S/C6H8IN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
InChIKeyHOLFICYUXUVXQP-UHFFFAOYSA-N
MW249.06 g/mol
LogP1.15
Rot. Bonds1

About 5-iodo-N,N-dimethylpyrimidin-2-amine

5-iodo-N,N-dimethylpyrimidin-2-amine (PubChem CID 25148249) has the molecular formula C6H8IN3 and a molecular weight of 249.06 g/mol. Its IUPAC name is 5-iodo-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N,N-dimethylpyrimidin-2-amine
PubChem CID25148249
Molecular FormulaC6H8IN3
Molecular Weight249.06 g/mol
Exact Mass248.98
IUPAC Name5-iodo-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(I)cn1
InChIInChI=1S/C6H8IN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
InChIKeyHOLFICYUXUVXQP-UHFFFAOYSA-N
XLogP1.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 51.15
H-Bond Donors ≤ 50
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,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-iodo-N,N-dimethylpyrimidin-2-amine (CID 25148249) is 5-iodo-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-iodo-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(I)cn1.
What is the InChIKey of 5-iodo-N,N-dimethylpyrimidin-2-amine?
The InChIKey is HOLFICYUXUVXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3.
What are the key properties of 5-iodo-N,N-dimethylpyrimidin-2-amine?
5-iodo-N,N-dimethylpyrimidin-2-amine has a molecular weight of 249.06 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 25148249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).