6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione

C7H9IN2O2 — CID 64788549

IUPAC6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CI)cc(=O)n(C)c1=O
InChIInChI=1S/C7H9IN2O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4H2,1-2H3
InChIKeyUPLBSJFULIPFQV-UHFFFAOYSA-N
MW280.07 g/mol
LogP0.02
Rot. Bonds1

About 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione

6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 64788549) has the molecular formula C7H9IN2O2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID64788549
Molecular FormulaC7H9IN2O2
Molecular Weight280.07 g/mol
Exact Mass279.97
IUPAC Name6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CI)cc(=O)n(C)c1=O
InChIInChI=1S/C7H9IN2O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4H2,1-2H3
InChIKeyUPLBSJFULIPFQV-UHFFFAOYSA-N
XLogP0.02
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 64788549) is 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CI)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UPLBSJFULIPFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4H2,1-2H3.
What are the key properties of 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 280.07 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 64788549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).