4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one

C11H15IN2O2 — CID 136730224

IUPAC4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C2CC2)c(I)c(=O)[nH]1
InChIInChI=1S/C11H15IN2O2/c1-6(16-2)5-8-13-10(7-3-4-7)9(12)11(15)14-8/h6-7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyJEECIUPHCQEJAQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.83
Rot. Bonds4

About 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one

4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 136730224) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID136730224
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C2CC2)c(I)c(=O)[nH]1
InChIInChI=1S/C11H15IN2O2/c1-6(16-2)5-8-13-10(7-3-4-7)9(12)11(15)14-8/h6-7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyJEECIUPHCQEJAQ-UHFFFAOYSA-N
XLogP1.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.83
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 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one (CID 136730224) is 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one is COC(C)Cc1nc(C2CC2)c(I)c(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is JEECIUPHCQEJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-6(16-2)5-8-13-10(7-3-4-7)9(12)11(15)14-8/h6-7H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).