5-iodo-2,4-dimethyl-1H-pyrimidin-6-one

C6H7IN2O — CID 135447935

IUPAC5-iodo-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10)
InChIKeyLLRCHCURQABDLS-UHFFFAOYSA-N
MW250.04 g/mol
LogP0.99
Rot. Bonds

About 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one

5-iodo-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135447935) has the molecular formula C6H7IN2O and a molecular weight of 250.04 g/mol. Its IUPAC name is 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135447935
Molecular FormulaC6H7IN2O
Molecular Weight250.04 g/mol
Exact Mass249.96
IUPAC Name5-iodo-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10)
InChIKeyLLRCHCURQABDLS-UHFFFAOYSA-N
XLogP0.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one (CID 135447935) is 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LLRCHCURQABDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10).
What are the key properties of 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one?
5-iodo-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 250.04 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135447935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).