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

C8H9IN2O — CID 66316586

IUPAC5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1CC1c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C8H9IN2O/c1-4-2-5(4)7-10-3-6(9)8(12)11-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyLSTAIGVNROHJKO-UHFFFAOYSA-N
MW276.08 g/mol
LogP1.50
Rot. Bonds1

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

5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one (PubChem CID 66316586) has the molecular formula C8H9IN2O and a molecular weight of 276.08 g/mol. Its IUPAC name is 5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
PubChem CID66316586
Molecular FormulaC8H9IN2O
Molecular Weight276.08 g/mol
Exact Mass275.98
IUPAC Name5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1CC1c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C8H9IN2O/c1-4-2-5(4)7-10-3-6(9)8(12)11-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyLSTAIGVNROHJKO-UHFFFAOYSA-N
XLogP1.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 51.50
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-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one (CID 66316586) is 5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one is CC1CC1c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is LSTAIGVNROHJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O/c1-4-2-5(4)7-10-3-6(9)8(12)11-7/h3-5H,2H2,1H3,(H,10,11,12).
What are the key properties of 5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 276.08 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66316586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).