5-Iodo-2,4,6-trimethylpyrimidine

C7H9IN2 — CID 10911871

IUPAC5-iodo-2,4,6-trimethylpyrimidine
SMILESCC1=C(C(=NC(=N1)C)C)I
InChIInChI=1S/C7H9IN2/c1-4-7(8)5(2)10-6(3)9-4/h1-3H3
InChIKeyKAQRGRQQLJWGKW-UHFFFAOYSA-N
MW248.06 g/mol
LogP2.10
Rot. Bonds

About 5-Iodo-2,4,6-trimethylpyrimidine

5-Iodo-2,4,6-trimethylpyrimidine (PubChem CID 10911871) has the molecular formula C7H9IN2 and a molecular weight of 248.06 g/mol. Its IUPAC name is 5-iodo-2,4,6-trimethylpyrimidine.

Molecular Properties

Compound Name5-Iodo-2,4,6-trimethylpyrimidine
PubChem CID10911871
Molecular FormulaC7H9IN2
Molecular Weight248.06 g/mol
Exact Mass247.98
IUPAC Name5-iodo-2,4,6-trimethylpyrimidine
SMILESCC1=C(C(=NC(=N1)C)C)I
InChIInChI=1S/C7H9IN2/c1-4-7(8)5(2)10-6(3)9-4/h1-3H3
InChIKeyKAQRGRQQLJWGKW-UHFFFAOYSA-N
XLogP2.10
TPSA25.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity106

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5,6-Trimethylpyrimidin-2-amine
CID 12250862
2-Iodo-4,6-dimethylpyrimidine
CID 11436236
2-Chloro-4,5,6-trimethylpyrimidine
CID 12501987
2-Ethynyl-4,6-dimethylpyrimidine
CID 13081754
5-Iodo-4,6-dimethylpyrimidin-2-amine
CID 619288
4,6-Dimethylpyrimidine-2-carbonitrile
CID 870742
5-Iodo-2,6-dimethylpyrimidin-4-amine
CID 819167
5-Iodo-4-methyl-6-pentylpyrimidin-2-amine
CID 135260347
2,4,6-Trimethylpyrimidine
CID 817251
2,4-Dimethyl-6-(trifluoromethyl)pyrimidine
CID 10654846
4,5-Dimethyl-2,6-bis(trifluoromethyl)pyrimidine
CID 134855968
2-(4,6-Dimethylpyrimidin-2-yl)acetonitrile
CID 12682964

Frequently Asked Questions

What is the IUPAC name of 5-Iodo-2,4,6-trimethylpyrimidine?
The IUPAC name of 5-Iodo-2,4,6-trimethylpyrimidine (CID 10911871) is 5-iodo-2,4,6-trimethylpyrimidine.
What is the SMILES notation for 5-Iodo-2,4,6-trimethylpyrimidine?
The canonical SMILES for 5-Iodo-2,4,6-trimethylpyrimidine is CC1=C(C(=NC(=N1)C)C)I.
What is the InChIKey of 5-Iodo-2,4,6-trimethylpyrimidine?
The InChIKey is KAQRGRQQLJWGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c1-4-7(8)5(2)10-6(3)9-4/h1-3H3.
What are the key properties of 5-Iodo-2,4,6-trimethylpyrimidine?
5-Iodo-2,4,6-trimethylpyrimidine has a molecular weight of 248.06 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Iodo-2,4,6-trimethylpyrimidine is sourced from PubChem (CID 10911871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).