5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one

C6H7IN2O2 — CID 66315138

IUPAC5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1ncc(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O2/c1-11-3-5-8-2-4(7)6(10)9-5/h2H,3H2,1H3,(H,8,9,10)
InChIKeyVQYMMDBIGRBZSU-UHFFFAOYSA-N
MW266.04 g/mol
LogP0.52
Rot. Bonds2

About 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one

5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 66315138) has the molecular formula C6H7IN2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID66315138
Molecular FormulaC6H7IN2O2
Molecular Weight266.04 g/mol
Exact Mass265.96
IUPAC Name5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1ncc(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O2/c1-11-3-5-8-2-4(7)6(10)9-5/h2H,3H2,1H3,(H,8,9,10)
InChIKeyVQYMMDBIGRBZSU-UHFFFAOYSA-N
XLogP0.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 50.52
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 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 66315138) is 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1ncc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is VQYMMDBIGRBZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2/c1-11-3-5-8-2-4(7)6(10)9-5/h2H,3H2,1H3,(H,8,9,10).
What are the key properties of 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one?
5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 266.04 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66315138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).