6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine

C8H12IN3 — CID 66300257

IUPAC6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
SMILESCCc1nc(C)nc(NC)c1I
InChIInChI=1S/C8H12IN3/c1-4-6-7(9)8(10-3)12-5(2)11-6/h4H2,1-3H3,(H,10,11,12)
InChIKeyYMGQXRLLKYVWBJ-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.99
Rot. Bonds2

About 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine

6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine (PubChem CID 66300257) has the molecular formula C8H12IN3 and a molecular weight of 277.11 g/mol. Its IUPAC name is 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
PubChem CID66300257
Molecular FormulaC8H12IN3
Molecular Weight277.11 g/mol
Exact Mass277.01
IUPAC Name6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
SMILESCCc1nc(C)nc(NC)c1I
InChIInChI=1S/C8H12IN3/c1-4-6-7(9)8(10-3)12-5(2)11-6/h4H2,1-3H3,(H,10,11,12)
InChIKeyYMGQXRLLKYVWBJ-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.99
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 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine (CID 66300257) is 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine is CCc1nc(C)nc(NC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine?
The InChIKey is YMGQXRLLKYVWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3/c1-4-6-7(9)8(10-3)12-5(2)11-6/h4H2,1-3H3,(H,10,11,12).
What are the key properties of 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine?
6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine has a molecular weight of 277.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66300257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).