6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one

C6H6ClIN2O — CID 177163642

IUPAC6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(Cl)c(I)c(=O)n1C
InChIInChI=1S/C6H6ClIN2O/c1-3-9-5(7)4(8)6(11)10(3)2/h1-2H3
InChIKeyCBHNOCNATGLPRB-UHFFFAOYSA-N
MW284.48 g/mol
LogP1.35
Rot. Bonds

About 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one

6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one (PubChem CID 177163642) has the molecular formula C6H6ClIN2O and a molecular weight of 284.48 g/mol. Its IUPAC name is 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one
PubChem CID177163642
Molecular FormulaC6H6ClIN2O
Molecular Weight284.48 g/mol
Exact Mass283.92
IUPAC Name6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(Cl)c(I)c(=O)n1C
InChIInChI=1S/C6H6ClIN2O/c1-3-9-5(7)4(8)6(11)10(3)2/h1-2H3
InChIKeyCBHNOCNATGLPRB-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 51.35
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 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one (CID 177163642) is 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one is Cc1nc(Cl)c(I)c(=O)n1C.
What is the InChIKey of 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one?
The InChIKey is CBHNOCNATGLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClIN2O/c1-3-9-5(7)4(8)6(11)10(3)2/h1-2H3.
What are the key properties of 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one?
6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one has a molecular weight of 284.48 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 177163642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).