2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one

C9H11IN2O — CID 107925374

IUPAC2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1(C)CC1c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C9H11IN2O/c1-9(2)3-5(9)7-11-4-6(10)8(13)12-7/h4-5H,3H2,1-2H3,(H,11,12,13)
InChIKeyKQMLRKXYCTYAAC-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.89
Rot. Bonds1

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

2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 107925374) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID107925374
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1(C)CC1c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C9H11IN2O/c1-9(2)3-5(9)7-11-4-6(10)8(13)12-7/h4-5H,3H2,1-2H3,(H,11,12,13)
InChIKeyKQMLRKXYCTYAAC-UHFFFAOYSA-N
XLogP1.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.89
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 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one (CID 107925374) is 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one is CC1(C)CC1c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is KQMLRKXYCTYAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c1-9(2)3-5(9)7-11-4-6(10)8(13)12-7/h4-5H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one?
2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 290.10 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 107925374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).